N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide

C13H26N2O2S — CID 71859668

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCOCC(NC(=O)N1CCSC(C)(C)C1)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-10(2)11(8-17-5)14-12(16)15-6-7-18-13(3,4)9-15/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyHGNYCSXKDMYMNJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.19
Rot. Bonds4

About N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide

N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide (PubChem CID 71859668) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
PubChem CID71859668
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCOCC(NC(=O)N1CCSC(C)(C)C1)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-10(2)11(8-17-5)14-12(16)15-6-7-18-13(3,4)9-15/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyHGNYCSXKDMYMNJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859678
1-[(3-Morpholin-4-ylthiolan-3-yl)methyl]-3-propan-2-ylurea
CID 45825697
2,3-dimethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 72009748
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholine-4-carboxamide
CID 72116704
(2R)-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholine-4-carboxamide
CID 96109308
(2S)-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholine-4-carboxamide
CID 96109309
(2S,3R)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563270
(2S,3S)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563271
(2R,3R)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563272
(2R,3S)-2,3-dimethyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 97563273
(2R,3S)-2,3-dimethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 99104366
(2S,3S)-2,3-dimethyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]thiomorpholine-4-carboxamide
CID 99104367

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide (CID 71859668) is N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide is COCC(NC(=O)N1CCSC(C)(C)C1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The InChIKey is HGNYCSXKDMYMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(2)11(8-17-5)14-12(16)15-6-7-18-13(3,4)9-15/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71859668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).