1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide

C10H22N2O2S — CID 71057832

IUPAC1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)12-15(13,14)8-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyUJFKTZGZCFOINZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide

1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 71057832) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide
PubChem CID71057832
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)12-15(13,14)8-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyUJFKTZGZCFOINZ-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
CID 71057771
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide (CID 71057832) is 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is UJFKTZGZCFOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)12-15(13,14)8-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 71057832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).