(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane

C113H204N8O3S4 — CID 158279992

IUPAC(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane
SMILESCC.C[C@H]1CN(C(C)(C)C)CCO1.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c(C(C)(C)C)c1C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H25N.2C14H24S.C12H22N2.2C12H21NO.2C12H21NS.C9H19NO.C2H6/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-11(13(3,4)5)10(2)15-12(9)14(6,7)8;1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-7-10(5-6-11-8)9(2,3)4;1-2/h15H,1-8H3;2*1-8H3;1-7H3,(H,13,14);4*1-7H3;8H,5-7H2,1-4H3;1-2H3/t;;;;;;;;8-;/m........0./s1
InChIKeyGKCBHVZVPBNPLW-PRRDSGTGSA-N
MW1851.20 g/mol
LogP35.24
Rot. Bonds

About (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane

(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane (PubChem CID 158279992) has the molecular formula C113H204N8O3S4 and a molecular weight of 1851.20 g/mol. Its IUPAC name is (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane
PubChem CID158279992
Molecular FormulaC113H204N8O3S4
Molecular Weight1851.20 g/mol
Exact Mass1849.49
IUPAC Name(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane
SMILESCC.C[C@H]1CN(C(C)(C)C)CCO1.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c(C(C)(C)C)c1C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H25N.2C14H24S.C12H22N2.2C12H21NO.2C12H21NS.C9H19NO.C2H6/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-11(13(3,4)5)10(2)15-12(9)14(6,7)8;1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-7-10(5-6-11-8)9(2,3)4;1-2/h15H,1-8H3;2*1-8H3;1-7H3,(H,13,14);4*1-7H3;8H,5-7H2,1-4H3;1-2H3/t;;;;;;;;8-;/m........0./s1
InChIKeyGKCBHVZVPBNPLW-PRRDSGTGSA-N
XLogP35.24
TPSA134.78 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.20
LogP ≤ 535.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethylimidazole;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine;methane
CID 157076313
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;ethane;2-methylpropane;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157647350
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157779007
1,5-Dimethyl-2,5-dihydrotetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);5-methylthiatriazole;2,3,4,5,6-pentamethylpyridine;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 157819372
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;propane;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4,5-tetramethyl-1-propan-2-ylpyrrole;1,3,4,5-tetramethylpyrazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157887460
(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;propane
CID 158038967
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 158506406
CID 158525858
CID 158525858
1,3-Ditert-butylimidazolidin-2-one;1,4-ditert-butylimidazolidin-2-one;bis(2,4-ditert-butyl-5-methyl-1,3-oxazole);bis(3,5-ditert-butyl-4-methyl-1,2-oxazole);2,4-ditert-butyl-5-methyl-1,3-thiazole;3,5-ditert-butyl-4-methyl-1,2-thiazole;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,3-oxazolidin-2-one;3,5-ditert-butyl-1,2,4-thiadiazole;ethane
CID 158766461
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 159855524
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;methane;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 160113086
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-oxazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(3,4-dimethyl-1,2-oxazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,2-oxazol-3-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-oxazol-2-yl)-N-propan-2-ylpropan-2-amine;2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine;2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine;2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylfuran-3-yl)propan-2-amine;N-propan-2-yl-2-(3,4,5-trimethylfuran-2-yl)propan-2-amine;N-propan-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)propan-2-amine;N-propan-2-yl-2-(2,4,5-trimethylthiophen-3-yl)propan-2-amine
CID 160309210

Frequently Asked Questions

What is the IUPAC name of (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane?
The IUPAC name of (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane (CID 158279992) is (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane.
What is the SMILES notation for (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane?
The canonical SMILES for (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane is CC.C[C@H]1CN(C(C)(C)C)CCO1.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)[nH]c(C(C)(C)C)c1C.Cc1c(C(C)(C)C)noc1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.
What is the InChIKey of (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane?
The InChIKey is GKCBHVZVPBNPLW-PRRDSGTGSA-N. The full InChI is InChI=1S/C14H25N.2C14H24S.C12H22N2.2C12H21NO.2C12H21NS.C9H19NO.C2H6/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-11(13(3,4)5)10(2)15-12(9)14(6,7)8;1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;2*1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-14-10(8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-7-10(5-6-11-8)9(2,3)4;1-2/h15H,1-8H3;2*1-8H3;1-7H3,(H,13,14);4*1-7H3;8H,5-7H2,1-4H3;1-2H3/t;;;;;;;;8-;/m........0./s1.
What are the key properties of (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane?
(2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane has a molecular weight of 1851.20 g/mol, XLogP of 35.24, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-tert-butyl-2-methylmorpholine;2,5-ditert-butyl-3,4-dimethyl-1H-pyrrole;2,4-ditert-butyl-3,5-dimethylthiophene;2,5-ditert-butyl-3,4-dimethylthiophene;2,4-ditert-butyl-5-methyl-1H-imidazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 158279992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).