1-(benzenesulfonyl)pyrrolidin-2-amine

C10H14N2O2S — CID 19623298

IUPAC1-(benzenesulfonyl)pyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c11-10-7-4-8-12(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,11H2
InChIKeyFVIDKSOZVQCRJN-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.76
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolidin-2-amine

1-(benzenesulfonyl)pyrrolidin-2-amine (PubChem CID 19623298) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidin-2-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidin-2-amine
PubChem CID19623298
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(benzenesulfonyl)pyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c11-10-7-4-8-12(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,11H2
InChIKeyFVIDKSOZVQCRJN-UHFFFAOYSA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
1-(2-bromophenyl)sulfonylpiperidin-2-amine
CID 43123733
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141334069
(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolidin-2-amine?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidin-2-amine (CID 19623298) is 1-(benzenesulfonyl)pyrrolidin-2-amine.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidin-2-amine?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidin-2-amine is NC1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidin-2-amine?
The InChIKey is FVIDKSOZVQCRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-10-7-4-8-12(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,11H2.
What are the key properties of 1-(benzenesulfonyl)pyrrolidin-2-amine?
1-(benzenesulfonyl)pyrrolidin-2-amine has a molecular weight of 226.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidin-2-amine is sourced from PubChem (CID 19623298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).