N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide

C13H21N3O2S — CID 114695687

IUPACN-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCNC2C)cc1
InChIInChI=1S/C13H21N3O2S/c1-10-13(4-3-9-15-10)16-11-5-7-12(8-6-11)19(17,18)14-2/h5-8,10,13-16H,3-4,9H2,1-2H3
InChIKeyMLPOUWBFGPGEPB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide

N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 114695687) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
PubChem CID114695687
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCCNC2C)cc1
InChIInChI=1S/C13H21N3O2S/c1-10-13(4-3-9-15-10)16-11-5-7-12(8-6-11)19(17,18)14-2/h5-8,10,13-16H,3-4,9H2,1-2H3
InChIKeyMLPOUWBFGPGEPB-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide (CID 114695687) is N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCCNC2C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is MLPOUWBFGPGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-13(4-3-9-15-10)16-11-5-7-12(8-6-11)19(17,18)14-2/h5-8,10,13-16H,3-4,9H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 114695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).