N-(4-aminocyclohexyl)butane-1-sulfonamide

C10H22N2O2S — CID 43653499

IUPACN-(4-aminocyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-10-6-4-9(11)5-7-10/h9-10,12H,2-8,11H2,1H3
InChIKeyJLQMWROLLSIBIB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds5

About N-(4-aminocyclohexyl)butane-1-sulfonamide

N-(4-aminocyclohexyl)butane-1-sulfonamide (PubChem CID 43653499) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)butane-1-sulfonamide
PubChem CID43653499
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(4-aminocyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-10-6-4-9(11)5-7-10/h9-10,12H,2-8,11H2,1H3
InChIKeyJLQMWROLLSIBIB-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
(Methylsulfonyl){4-[(methylsulfonyl)amino]cyclohexyl}amine
CID 1530175
N-(4-aminocyclohexyl)methanesulfonamide hydrochloride
CID 54594800
rac-N-((1R,2R)-2-aminocyclohexyl)cyclopropanesulfonamide hydrochloride
CID 119033460
4-Aminocyclohexane-1-sulfonamide hydrochloride
CID 132354263
(1R,2S)-2-aminocyclohexane-1-sulfonamidehydrochloride
CID 165750982
2-Sulfanylethane-1-sulfonic acid--cyclohexanamine (1/1)
CID 23049873
N-cyclohexylcyclopropanesulfonamide
CID 49715026
3-Cyclo-hexylamino-ethylsulfonic acid
CID 57013476
N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 62492167

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)butane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)butane-1-sulfonamide (CID 43653499) is N-(4-aminocyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)butane-1-sulfonamide?
The InChIKey is JLQMWROLLSIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-8-15(13,14)12-10-6-4-9(11)5-7-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)butane-1-sulfonamide?
N-(4-aminocyclohexyl)butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 43653499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).