4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline

C15H22N2O2S — CID 139013801

IUPAC4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCC(C3CCCC3)C2)cc1
InChIInChI=1S/C15H22N2O2S/c16-14-5-7-15(8-6-14)20(18,19)17-10-9-13(11-17)12-3-1-2-4-12/h5-8,12-13H,1-4,9-11,16H2
InChIKeyOWZFJDDJUMLJDC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds3

About 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline

4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 139013801) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline
PubChem CID139013801
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCC(C3CCCC3)C2)cc1
InChIInChI=1S/C15H22N2O2S/c16-14-5-7-15(8-6-14)20(18,19)17-10-9-13(11-17)12-3-1-2-4-12/h5-8,12-13H,1-4,9-11,16H2
InChIKeyOWZFJDDJUMLJDC-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 43404978
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CID 62147207
2-[4-(bromomethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 65482385
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
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CID 11926564
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
(3S)-1-(4-aminophenyl)sulfonylpiperidine-3-carboxylate
CID 6951914
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
(4aS,8aS)-2-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926600
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline (CID 139013801) is 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCC(C3CCCC3)C2)cc1.
What is the InChIKey of 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is OWZFJDDJUMLJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-14-5-7-15(8-6-14)20(18,19)17-10-9-13(11-17)12-3-1-2-4-12/h5-8,12-13H,1-4,9-11,16H2.
What are the key properties of 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline?
4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 294.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 139013801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).