(4-pyrrolidin-1-ylsulfonylphenyl)methanamine

C11H16N2O2S — CID 16791255

IUPAC(4-pyrrolidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKeyNITKDGDSVDJQFD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.93
Rot. Bonds3

About (4-pyrrolidin-1-ylsulfonylphenyl)methanamine

(4-pyrrolidin-1-ylsulfonylphenyl)methanamine (PubChem CID 16791255) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylsulfonylphenyl)methanamine
PubChem CID16791255
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(4-pyrrolidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKeyNITKDGDSVDJQFD-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of (4-pyrrolidin-1-ylsulfonylphenyl)methanamine (CID 16791255) is (4-pyrrolidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for (4-pyrrolidin-1-ylsulfonylphenyl)methanamine is NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (4-pyrrolidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is NITKDGDSVDJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2.
What are the key properties of (4-pyrrolidin-1-ylsulfonylphenyl)methanamine?
(4-pyrrolidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 16791255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).