N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide

C14H20N2O3S — CID 94027180

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3S/c1-11-6-2-3-7-12(11)16-13(17)10-20(18,19)14-8-4-5-9-15-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyOAZRFAIZMWTJOY-NEPJUHHUSA-N
MW296.39 g/mol
LogP1.55
Rot. Bonds4

About N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide (PubChem CID 94027180) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
PubChem CID94027180
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3S/c1-11-6-2-3-7-12(11)16-13(17)10-20(18,19)14-8-4-5-9-15-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyOAZRFAIZMWTJOY-NEPJUHHUSA-N
XLogP1.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
methyl 2-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfonyl-1H-imidazole-5-carboxylate
CID 100740848
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 94178566
1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
CID 154852000
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724731
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132177
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
N-(2-methylcyclohexyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3718907

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide (CID 94027180) is N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide?
The InChIKey is OAZRFAIZMWTJOY-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-6-2-3-7-12(11)16-13(17)10-20(18,19)14-8-4-5-9-15-14/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide is sourced from PubChem (CID 94027180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).