[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine

C13H20N2O2S — CID 63220011

IUPAC[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H20N2O2S/c1-13(2)8-5-9-15(13)18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7H,5,8-10,14H2,1-2H3
InChIKeyNXYNUTVQNCADPT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.71
Rot. Bonds3

About [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine

[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 63220011) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
PubChem CID63220011
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H20N2O2S/c1-13(2)8-5-9-15(13)18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7H,5,8-10,14H2,1-2H3
InChIKeyNXYNUTVQNCADPT-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine (CID 63220011) is [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine is CC1(C)CCCN1S(=O)(=O)c1ccccc1CN.
What is the InChIKey of [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is NXYNUTVQNCADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2)8-5-9-15(13)18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7H,5,8-10,14H2,1-2H3.
What are the key properties of [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 63220011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).