N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide

C20H31N3O2S — CID 86338649

IUPACN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(C2CCC2)C1)c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C20H31N3O2S/c24-26(25,22-18-12-13-23(15-18)19-6-3-7-19)20-10-8-16(9-11-20)14-21-17-4-1-2-5-17/h8-11,17-19,21-22H,1-7,12-15H2/t18-/m0/s1
InChIKeyOUSAAZFJEMTFRH-SFHVURJKSA-N
MW377.55 g/mol
LogP2.62
Rot. Bonds7

About N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide

N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide (PubChem CID 86338649) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
PubChem CID86338649
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCN(C2CCC2)C1)c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C20H31N3O2S/c24-26(25,22-18-12-13-23(15-18)19-6-3-7-19)20-10-8-16(9-11-20)14-21-17-4-1-2-5-17/h8-11,17-19,21-22H,1-7,12-15H2/t18-/m0/s1
InChIKeyOUSAAZFJEMTFRH-SFHVURJKSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 111919381
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-5-sulfonamide
CID 62156639
(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol
CID 71271163
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide (CID 86338649) is N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCN(C2CCC2)C1)c1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide?
The InChIKey is OUSAAZFJEMTFRH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2S/c24-26(25,22-18-12-13-23(15-18)19-6-3-7-19)20-10-8-16(9-11-20)14-21-17-4-1-2-5-17/h8-11,17-19,21-22H,1-7,12-15H2/t18-/m0/s1.
What are the key properties of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide?
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide has a molecular weight of 377.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 86338649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).