2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline

C14H20N2O2S — CID 135350611

IUPAC2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2)cc1C1CCC1
InChIInChI=1S/C14H20N2O2S/c15-14-7-6-12(10-13(14)11-4-3-5-11)19(17,18)16-8-1-2-9-16/h6-7,10-11H,1-5,8-9,15H2
InChIKeyMOFFVTSMOKOYNT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds3

About 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline

2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline (PubChem CID 135350611) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline
PubChem CID135350611
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC2)cc1C1CCC1
InChIInChI=1S/C14H20N2O2S/c15-14-7-6-12(10-13(14)11-4-3-5-11)19(17,18)16-8-1-2-9-16/h6-7,10-11H,1-5,8-9,15H2
InChIKeyMOFFVTSMOKOYNT-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
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

2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
CID 3755055
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline (CID 135350611) is 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC2)cc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is MOFFVTSMOKOYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-14-7-6-12(10-13(14)11-4-3-5-11)19(17,18)16-8-1-2-9-16/h6-7,10-11H,1-5,8-9,15H2.
What are the key properties of 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline?
2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 280.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 135350611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).