2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

C13H20N4O3S — CID 80641727

IUPAC2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCC(=O)N(C)C2)cc1N
InChIInChI=1S/C13H20N4O3S/c1-15-21(19,20)12-5-3-9(7-11(12)14)16-10-4-6-13(18)17(2)8-10/h3,5,7,10,15-16H,4,6,8,14H2,1-2H3
InChIKeyPKGMFTCHQDVJTG-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.21
Rot. Bonds4

About 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 80641727) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID80641727
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCC(=O)N(C)C2)cc1N
InChIInChI=1S/C13H20N4O3S/c1-15-21(19,20)12-5-3-9(7-11(12)14)16-10-4-6-13(18)17(2)8-10/h3,5,7,10,15-16H,4,6,8,14H2,1-2H3
InChIKeyPKGMFTCHQDVJTG-UHFFFAOYSA-N
XLogP0.21
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

Thaumatin
CID 1151816
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
N-(3-{4-[4-(4-fluoro-benzenesulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10253106
N-(4-(1-Piperidinylsulfonyl)phenyl)acetamide
CID 79780
N-[4-(aminosulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 661254
Acetamide, N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CID 764494
N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 3277460
3-(4-Methyl-piperazin-1-yl)-N-(4-sulfamoyl-phenyl)-propionamide
CID 44391802
N-[2-(benzenesulfonyl)-5-piperazin-1-ylphenyl]acetamide;hydrochloride
CID 73347593
N,N-diethyl-2-(4-sulfamoylanilino)acetamide
CID 115604825

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 80641727) is 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCC(=O)N(C)C2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is PKGMFTCHQDVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-15-21(19,20)12-5-3-9(7-11(12)14)16-10-4-6-13(18)17(2)8-10/h3,5,7,10,15-16H,4,6,8,14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 80641727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).