N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 115308757

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-7-4-2-3-5-9(7,6-12)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyWIWGPVVYPRMPAH-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 115308757) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID115308757
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c1-7-4-2-3-5-9(7,6-12)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyWIWGPVVYPRMPAH-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide 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-(1,2-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855034
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722094
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 63764896
N-[(2-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 64929044

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide (CID 115308757) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide is CC1CCCCC1(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is WIWGPVVYPRMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-7-4-2-3-5-9(7,6-12)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115308757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).