N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 55174884

IUPACN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c1-15(13(11-14)7-3-2-4-8-13)19(16,17)10-12-6-5-9-18-12/h12H,2-11,14H2,1H3
InChIKeyWGJCCDSNFGKWLZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174884) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174884
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H26N2O3S/c1-15(13(11-14)7-3-2-4-8-13)19(16,17)10-12-6-5-9-18-12/h12H,2-11,14H2,1H3
InChIKeyWGJCCDSNFGKWLZ-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide 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-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 55174884) is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CN(C1(CN)CCCCC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is WGJCCDSNFGKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(13(11-14)7-3-2-4-8-13)19(16,17)10-12-6-5-9-18-12/h12H,2-11,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).