2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C15H24N4O3S — CID 94178566

IUPAC2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C
InChIInChI=1S/C15H24N4O3S/c1-10-5-3-4-6-12(10)16-13(20)9-23(21,22)15-18-17-14(19(15)2)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,16,20)/t10-,12-/m0/s1
InChIKeyNKZMCGSQOFHTRQ-JQWIXIFHSA-N
MW340.45 g/mol
LogP1.16
Rot. Bonds5

About 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 94178566) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID94178566
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C
InChIInChI=1S/C15H24N4O3S/c1-10-5-3-4-6-12(10)16-13(20)9-23(21,22)15-18-17-14(19(15)2)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,16,20)/t10-,12-/m0/s1
InChIKeyNKZMCGSQOFHTRQ-JQWIXIFHSA-N
XLogP1.16
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8723932
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
CID 94027180
N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 7451183
methyl 2-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfonyl-1H-imidazole-5-carboxylate
CID 100740848
2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 94021052
N-cyclopentyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466056
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9026503
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515024
N-cyclopentyl-2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469328
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-(2-methylcyclobutyl)-2-methylsulfonylacetamide
CID 130613646

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 94178566) is 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C.
What is the InChIKey of 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is NKZMCGSQOFHTRQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-10-5-3-4-6-12(10)16-13(20)9-23(21,22)15-18-17-14(19(15)2)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,16,20)/t10-,12-/m0/s1.
What are the key properties of 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 94178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).