4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C16H27N3O4S2 — CID 119973313

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H27N3O4S2/c1-13-10-14(2)12-19(11-13)25(22,23)16-6-4-15(5-7-16)24(20,21)18-9-8-17-3/h4-7,13-14,17-18H,8-12H2,1-3H3
InChIKeyZAAKXWYGPXMKJB-UHFFFAOYSA-N
MW389.54 g/mol
LogP0.85
Rot. Bonds7

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 119973313) has the molecular formula C16H27N3O4S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID119973313
Molecular FormulaC16H27N3O4S2
Molecular Weight389.54 g/mol
Exact Mass389.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H27N3O4S2/c1-13-10-14(2)12-19(11-13)25(22,23)16-6-4-15(5-7-16)24(20,21)18-9-8-17-3/h4-7,13-14,17-18H,8-12H2,1-3H3
InChIKeyZAAKXWYGPXMKJB-UHFFFAOYSA-N
XLogP0.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]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

N-(3-aminopropyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 119962294
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
CID 27528641
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 119973313) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is ZAAKXWYGPXMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S2/c1-13-10-14(2)12-19(11-13)25(22,23)16-6-4-15(5-7-16)24(20,21)18-9-8-17-3/h4-7,13-14,17-18H,8-12H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 389.54 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 119973313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).