4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide

C9H18N2O3S — CID 103287417

IUPAC4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeySTNBYZHWZKZXEM-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.17
Rot. Bonds3

About 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide

4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide (PubChem CID 103287417) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide
PubChem CID103287417
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeySTNBYZHWZKZXEM-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide 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-[(2-oxocyclohexyl)methyl]methanesulfonamide
CID 134896116
N-(2-aminoethylsulfonyl)-2-propylpentanamide
CID 22289953
N-methylsulfonylcyclohexanecarboxamide
CID 47232701
3-cyclohexyl-N-methylsulfonylpropanamide
CID 47232790
4-tert-butyl-N-methylsulfonylcyclohexane-1-carboxamide
CID 47269287
4-(Methanesulfonamido)cyclohexane-1-carboxamide
CID 57440944
4-(Propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 64121745
N-[3-(4-oxocyclohexyl)propyl]methanesulfonamide
CID 68003452
N-methylsulfonyl-2-(4-propan-2-ylcyclohexyl)acetamide
CID 68071482
2-(4-methylcyclohexyl)-N-methylsulfonylacetamide
CID 68090722
2-(4-ethylcyclohexyl)-N-methylsulfonylacetamide
CID 70214369

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide (CID 103287417) is 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide is CS(=O)(=O)NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide?
The InChIKey is STNBYZHWZKZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 103287417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).