N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide

C11H24N2O2S — CID 59231490

IUPACN-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h9-10,13H,4-8,12H2,1-3H3
InChIKeyHQQPRNVUFINJIT-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.22
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide

N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 59231490) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide
PubChem CID59231490
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h9-10,13H,4-8,12H2,1-3H3
InChIKeyHQQPRNVUFINJIT-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide 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-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-(aminomethyl)cyclohexyl)methanesulfonamide hydrochloride
CID 119031028
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 62492167
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[2-(4-amino-4-fluorocyclohexyl)ethyl]-2-methylpropane-2-sulfinamide
CID 144763415
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
CID 134966480
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide (CID 59231490) is N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is HQQPRNVUFINJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)16(14,15)13-8-9-4-6-10(12)7-5-9/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide?
N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 59231490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).