N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide

C12H17N3O3S — CID 63661248

IUPACN-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCC(=O)NC1
InChIInChI=1S/C12H17N3O3S/c1-13-19(17,18)11-5-3-2-4-10(11)15-9-6-7-12(16)14-8-9/h2-5,9,13,15H,6-8H2,1H3,(H,14,16)
InChIKeyNTTVNNVEIQHNGZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.29
Rot. Bonds4

About N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide

N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 63661248) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID63661248
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCC(=O)NC1
InChIInChI=1S/C12H17N3O3S/c1-13-19(17,18)11-5-3-2-4-10(11)15-9-6-7-12(16)14-8-9/h2-5,9,13,15H,6-8H2,1H3,(H,14,16)
InChIKeyNTTVNNVEIQHNGZ-UHFFFAOYSA-N
XLogP0.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 63661248) is N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NC1CCC(=O)NC1.
What is the InChIKey of N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is NTTVNNVEIQHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-19(17,18)11-5-3-2-4-10(11)15-9-6-7-12(16)14-8-9/h2-5,9,13,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 63661248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).