N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide

C12H26N2O2S — CID 62007623

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCC(C)C1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-4-8-14(17(3,15)16)12(10-13)7-5-6-11(2)9-12/h11H,4-10,13H2,1-3H3
InChIKeyCTHNOWBRFYSJCC-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide (PubChem CID 62007623) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
PubChem CID62007623
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
SMILESCCCN(C1(CN)CCCC(C)C1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-4-8-14(17(3,15)16)12(10-13)7-5-6-11(2)9-12/h11H,4-10,13H2,1-3H3
InChIKeyCTHNOWBRFYSJCC-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide 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

N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methyl-N-propylbutane-1-sulfonamide
CID 63832978
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-[1-(aminomethyl)-3-methylcyclohexyl]-3,3-dimethyl-1-propylurea
CID 79153396
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
methyl N-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylsulfamoyl]carbamate
CID 114461318
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
N-[1-(aminomethyl)cyclopentyl]-3-methyl-N-propylpiperidine-1-sulfonamide
CID 62009026
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
CID 62009417
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide (CID 62007623) is N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide is CCCN(C1(CN)CCCC(C)C1)S(C)(=O)=O.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide?
The InChIKey is CTHNOWBRFYSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-8-14(17(3,15)16)12(10-13)7-5-6-11(2)9-12/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 62007623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).