[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine

C17H20N2O2S — CID 119988617

IUPAC[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2S/c18-13-15-9-6-12-19(15)22(20,21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2
InChIKeyAWUVWSSYSOCOME-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.47
Rot. Bonds4

About [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine

[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 119988617) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID119988617
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2S/c18-13-15-9-6-12-19(15)22(20,21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2
InChIKeyAWUVWSSYSOCOME-UHFFFAOYSA-N
XLogP2.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)pyrrolidin-2-yl]methanamine
CID 119988844
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
CID 124692060
methyl 2-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119969576
[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988979
[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875357

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 119988617) is [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is AWUVWSSYSOCOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c18-13-15-9-6-12-19(15)22(20,21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2.
What are the key properties of [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 316.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119988617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).