2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C12H17N3O3S — CID 63661206

IUPAC2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H17N3O3S/c13-7-9-3-1-2-4-11(9)19(17,18)15-10-5-6-12(16)14-8-10/h1-4,10,15H,5-8,13H2,(H,14,16)
InChIKeyIVGNWQQCXOXKBP-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.30
Rot. Bonds4

About 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide

2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 63661206) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID63661206
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H17N3O3S/c13-7-9-3-1-2-4-11(9)19(17,18)15-10-5-6-12(16)14-8-10/h1-4,10,15H,5-8,13H2,(H,14,16)
InChIKeyIVGNWQQCXOXKBP-UHFFFAOYSA-N
XLogP-0.30
TPSA101.29 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 ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxopiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684185
2-(3-aminoprop-1-ynyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661457
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044
3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492333
N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 63661248
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 115630700

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 63661206) is 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is IVGNWQQCXOXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-7-9-3-1-2-4-11(9)19(17,18)15-10-5-6-12(16)14-8-10/h1-4,10,15H,5-8,13H2,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 63661206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).