2-(1-aminocyclohexyl)-N-methylsulfonylacetamide

C9H18N2O3S — CID 103287639

IUPAC2-(1-aminocyclohexyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)11-8(12)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyBHDVJIWHAJQIBL-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.11
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide

2-(1-aminocyclohexyl)-N-methylsulfonylacetamide (PubChem CID 103287639) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-methylsulfonylacetamide
PubChem CID103287639
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(1-aminocyclohexyl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)11-8(12)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyBHDVJIWHAJQIBL-UHFFFAOYSA-N
XLogP0.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-methylsulfonylbutanamide
CID 56823236
N-methylsulfonylcyclohexanecarboxamide
CID 47232701
3-cyclohexyl-N-methylsulfonylpropanamide
CID 47232790
1-(Methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
2-(4-methylcyclohexyl)-N-methylsulfonylacetamide
CID 68090722
2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide
CID 70214369
4-methyl-N-methylsulfonylcyclohexane-1-carboxamide
CID 117904777
4-ethyl-N-methylsulfonylcyclohexane-1-carboxamide
CID 117904818
4-N-methylsulfonylcyclohexane-1,4-dicarboxamide
CID 151075934
1-[(Methylsulfonimidoyl)amino]cyclohexane-1-carboxamide
CID 168190658
(3S)-3-cyclohexyl-N-methylsulfonylbutanamide
CID 95619108
(3R)-3-cyclohexyl-N-methylsulfonylbutanamide
CID 95619109

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide (CID 103287639) is 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide?
The InChIKey is BHDVJIWHAJQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)11-8(12)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide?
2-(1-aminocyclohexyl)-N-methylsulfonylacetamide has a molecular weight of 234.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 103287639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).