3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine

C88H167F2N7S8 — CID 159944438

IUPAC3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)SCC1CCN(C)C1.CC(C)SCCN1CCC1.CC(C)SCCN1CCCC1.CC(C)SCCn1ccc(C(C)(F)F)c1.CC(C)SCc1ccc(C#N)cc1.CC(C)SCc1cccnc1.CCc1ccc(CSC(C)C)cn1.Cc1ccc(CSC(C)C)cc1
InChIInChI=1S/C11H17F2NS.C11H13NS.C11H17NS.C11H16S.C9H19NS.C9H13NS.C9H19NS.C8H17NS.9CH4/c1-9(2)15-7-6-14-5-4-10(8-14)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-7-9-4-5-10(3)6-9;1-8(2)11-7-9-4-3-5-10-6-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-7-6-9-4-3-5-9;;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,8H2,1-2H3;5-7,9H,4,8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9*1H4
InChIKeyOBHQGVHNLLEDCI-UHFFFAOYSA-N
MW1617.88 g/mol
LogP28.45
Rot. Bonds29

About 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine

3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine (PubChem CID 159944438) has the molecular formula C88H167F2N7S8 and a molecular weight of 1617.88 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine
PubChem CID159944438
Molecular FormulaC88H167F2N7S8
Molecular Weight1617.88 g/mol
Exact Mass1616.10
IUPAC Name3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)SCC1CCN(C)C1.CC(C)SCCN1CCC1.CC(C)SCCN1CCCC1.CC(C)SCCn1ccc(C(C)(F)F)c1.CC(C)SCc1ccc(C#N)cc1.CC(C)SCc1cccnc1.CCc1ccc(CSC(C)C)cn1.Cc1ccc(CSC(C)C)cc1
InChIInChI=1S/C11H17F2NS.C11H13NS.C11H17NS.C11H16S.C9H19NS.C9H13NS.C9H19NS.C8H17NS.9CH4/c1-9(2)15-7-6-14-5-4-10(8-14)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-7-9-4-5-10(3)6-9;1-8(2)11-7-9-4-3-5-10-6-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-7-6-9-4-3-5-9;;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,8H2,1-2H3;5-7,9H,4,8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9*1H4
InChIKeyOBHQGVHNLLEDCI-UHFFFAOYSA-N
XLogP28.45
TPSA64.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.88
LogP ≤ 528.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine 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

N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 167688132
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584033
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 130331359
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[[3-[4-propan-2-yl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 6489371
3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
CID 142312090
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine (CID 159944438) is 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine is C.C.C.C.C.C.C.C.C.CC(C)SCC1CCN(C)C1.CC(C)SCCN1CCC1.CC(C)SCCN1CCCC1.CC(C)SCCn1ccc(C(C)(F)F)c1.CC(C)SCc1ccc(C#N)cc1.CC(C)SCc1cccnc1.CCc1ccc(CSC(C)C)cn1.Cc1ccc(CSC(C)C)cc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine?
The InChIKey is OBHQGVHNLLEDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NS.C11H13NS.C11H17NS.C11H16S.C9H19NS.C9H13NS.C9H19NS.C8H17NS.9CH4/c1-9(2)15-7-6-14-5-4-10(8-14)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-7-9-4-5-10(3)6-9;1-8(2)11-7-9-4-3-5-10-6-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)10-7-6-9-4-3-5-9;;;;;;;;;/h4-5,8-9H,6-7H2,1-3H3;3-6,9H,8H2,1-2H3;5-7,9H,4,8H2,1-3H3;4-7,9H,8H2,1-3H3;8-9H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9*1H4.
What are the key properties of 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine?
3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine has a molecular weight of 1617.88 g/mol, XLogP of 28.45, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 159944438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).