N-(2-methylpiperidin-1-yl)benzenesulfonamide

C12H18N2O2S — CID 140593026

IUPACN-(2-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCCN1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-11-7-5-6-10-14(11)13-17(15,16)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyYFOPAJSMQLEGBN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.75
Rot. Bonds3

About N-(2-methylpiperidin-1-yl)benzenesulfonamide

N-(2-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 140593026) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID140593026
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-methylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCCN1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-11-7-5-6-10-14(11)13-17(15,16)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyYFOPAJSMQLEGBN-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylpiperidin-1-yl)benzenesulfonamide (CID 140593026) is N-(2-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpiperidin-1-yl)benzenesulfonamide is CC1CCCCN1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is YFOPAJSMQLEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11-7-5-6-10-14(11)13-17(15,16)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3.
What are the key properties of N-(2-methylpiperidin-1-yl)benzenesulfonamide?
N-(2-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 140593026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).