N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide

C18H22N2OS — CID 1276988

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C18H22N2OS/c1-13-6-2-3-9-15(13)20-17(21)12-22-16-10-4-7-14-8-5-11-19-18(14)16/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,20,21)/t13-,15-/m0/s1
InChIKeyPWDTXJJCWLYPRC-ZFWWWQNUSA-N
MW314.45 g/mol
LogP4.02
Rot. Bonds4

About N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1276988) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
PubChem CID1276988
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C18H22N2OS/c1-13-6-2-3-9-15(13)20-17(21)12-22-16-10-4-7-14-8-5-11-19-18(14)16/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,20,21)/t13-,15-/m0/s1
InChIKeyPWDTXJJCWLYPRC-ZFWWWQNUSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
N-[(1R,2R)-2-methylcyclohexyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 40895198
2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944885
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7976217
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43301392

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide (CID 1276988) is N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide is C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc12.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is PWDTXJJCWLYPRC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-6-2-3-9-15(13)20-17(21)12-22-16-10-4-7-14-8-5-11-19-18(14)16/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,20,21)/t13-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 314.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1276988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).