N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide

C15H24N2O2S — CID 63252038

IUPACN-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCCC2N)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11(2)12-7-9-13(10-8-12)20(18,19)17-15-6-4-5-14(15)16/h7-11,14-15,17H,3-6,16H2,1-2H3
InChIKeyIEEGEHHBUQKQFH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.36
Rot. Bonds5

About N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide

N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide (PubChem CID 63252038) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
PubChem CID63252038
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC2CCCC2N)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11(2)12-7-9-13(10-8-12)20(18,19)17-15-6-4-5-14(15)16/h7-11,14-15,17H,3-6,16H2,1-2H3
InChIKeyIEEGEHHBUQKQFH-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide (CID 63252038) is N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC2CCCC2N)cc1.
What is the InChIKey of N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide?
The InChIKey is IEEGEHHBUQKQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11(2)12-7-9-13(10-8-12)20(18,19)17-15-6-4-5-14(15)16/h7-11,14-15,17H,3-6,16H2,1-2H3.
What are the key properties of N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide?
N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63252038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).