N-(4-aminobutan-2-yl)cyclohexanesulfonamide

C10H22N2O2S — CID 62093489

IUPACN-(4-aminobutan-2-yl)cyclohexanesulfonamide
SMILESCC(CCN)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-9(7-8-11)12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyANSRDFFNVQYKPB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds5

About N-(4-aminobutan-2-yl)cyclohexanesulfonamide

N-(4-aminobutan-2-yl)cyclohexanesulfonamide (PubChem CID 62093489) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)cyclohexanesulfonamide
PubChem CID62093489
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(4-aminobutan-2-yl)cyclohexanesulfonamide
SMILESCC(CCN)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H22N2O2S/c1-9(7-8-11)12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyANSRDFFNVQYKPB-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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)cyclohexanesulfonamide (CID 62093489) is N-(4-aminobutan-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)cyclohexanesulfonamide is CC(CCN)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(4-aminobutan-2-yl)cyclohexanesulfonamide?
The InChIKey is ANSRDFFNVQYKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(7-8-11)12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(4-aminobutan-2-yl)cyclohexanesulfonamide?
N-(4-aminobutan-2-yl)cyclohexanesulfonamide 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-aminobutan-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 62093489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).