cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium

C17H26N3O3S+ — CID 6971323

IUPACcyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
SMILESO=C(C[NH2+]C1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c21-17(13-18-14-5-1-2-6-14)19-15-7-9-16(10-8-15)24(22,23)20-11-3-4-12-20/h7-10,14,18H,1-6,11-13H2,(H,19,21)/p+1
InChIKeyJEMZRKYHMNXBLX-UHFFFAOYSA-O
MW352.48 g/mol
LogP0.92
Rot. Bonds6

About cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium

cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium (PubChem CID 6971323) has the molecular formula C17H26N3O3S+ and a molecular weight of 352.48 g/mol. Its IUPAC name is cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
PubChem CID6971323
Molecular FormulaC17H26N3O3S+
Molecular Weight352.48 g/mol
Exact Mass352.17
IUPAC Namecyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
SMILESO=C(C[NH2+]C1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c21-17(13-18-14-5-1-2-6-14)19-15-7-9-16(10-8-15)24(22,23)20-11-3-4-12-20/h7-10,14,18H,1-6,11-13H2,(H,19,21)/p+1
InChIKeyJEMZRKYHMNXBLX-UHFFFAOYSA-O
XLogP0.92
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4821142
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 11940617
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
CID 7406873
cyclooctyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 7509633
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium?
The IUPAC name of cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium (CID 6971323) is cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium.
What is the SMILES notation for cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium?
The canonical SMILES for cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium is O=C(C[NH2+]C1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium?
The InChIKey is JEMZRKYHMNXBLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3S/c21-17(13-18-14-5-1-2-6-14)19-15-7-9-16(10-8-15)24(22,23)20-11-3-4-12-20/h7-10,14,18H,1-6,11-13H2,(H,19,21)/p+1.
What are the key properties of cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium?
cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium has a molecular weight of 352.48 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium is sourced from PubChem (CID 6971323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).