4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

C14H17N3O3S — CID 106833317

IUPAC4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)ccc1C#N
InChIInChI=1S/C14H17N3O3S/c1-10-7-13(5-3-11(10)8-15)21(19,20)16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,9H2,1-2H3
InChIKeyKDSUPWNNYFBSKB-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.77
Rot. Bonds3

About 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 106833317) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID106833317
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)ccc1C#N
InChIInChI=1S/C14H17N3O3S/c1-10-7-13(5-3-11(10)8-15)21(19,20)16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,9H2,1-2H3
InChIKeyKDSUPWNNYFBSKB-UHFFFAOYSA-N
XLogP0.77
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
4-cyano-N-(1,1-dioxothiolan-3-yl)-3-methylbenzenesulfonamide
CID 106832865
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64670233
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 64668201
4-cyano-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106833161
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106833286

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 106833317) is 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCC(=O)N(C)C2)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is KDSUPWNNYFBSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-7-13(5-3-11(10)8-15)21(19,20)16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,9H2,1-2H3.
What are the key properties of 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106833317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).