N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide

C9H20N2O2S — CID 70331721

IUPACN-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-11(14(2,12)13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKeyOINMHQJHKRILGU-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide

N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide (PubChem CID 70331721) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide
PubChem CID70331721
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-11(14(2,12)13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKeyOINMHQJHKRILGU-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide (CID 70331721) is N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide is CN(CC1(N)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is OINMHQJHKRILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-11(14(2,12)13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide?
N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70331721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).