2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide

C10H18N2O4S — CID 175700374

IUPAC2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)CC(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C10H18N2O4S/c1-17(15,16)6-9(13)12-8-5-3-2-4-7(8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyIOKIHVKBTBHFMF-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.81
Rot. Bonds4

About 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide

2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 175700374) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID175700374
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)CC(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C10H18N2O4S/c1-17(15,16)6-9(13)12-8-5-3-2-4-7(8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyIOKIHVKBTBHFMF-UHFFFAOYSA-N
XLogP-0.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
CID 77015041
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
N-(2-methylcyclobutyl)-2-methylsulfonylacetamide
CID 130613646
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119802162
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735
2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
CID 132969236
2-(cycloheptylamino)cyclopentane-1-carboxamide
CID 104587509
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide (CID 175700374) is 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide is CS(=O)(=O)CC(=O)NC1CCCCC1C(N)=O.
What is the InChIKey of 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is IOKIHVKBTBHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-17(15,16)6-9(13)12-8-5-3-2-4-7(8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide?
2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 175700374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).