4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide

C13H20N2O2S2 — CID 54995674

IUPAC4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CCSCC2)cc1
InChIInChI=1S/C13H20N2O2S2/c14-19(16,17)13-3-1-11(2-4-13)5-8-15-12-6-9-18-10-7-12/h1-4,12,15H,5-10H2,(H2,14,16,17)
InChIKeyARUSQZBWGYXUIQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.36
Rot. Bonds5

About 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide

4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide (PubChem CID 54995674) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
PubChem CID54995674
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CCSCC2)cc1
InChIInChI=1S/C13H20N2O2S2/c14-19(16,17)13-3-1-11(2-4-13)5-8-15-12-6-9-18-10-7-12/h1-4,12,15H,5-10H2,(H2,14,16,17)
InChIKeyARUSQZBWGYXUIQ-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-(methylamino)ethyl]-N-(thian-4-yl)benzenesulfonamide
CID 106084491
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
CID 39826173
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide (CID 54995674) is 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC2CCSCC2)cc1.
What is the InChIKey of 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide?
The InChIKey is ARUSQZBWGYXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c14-19(16,17)13-3-1-11(2-4-13)5-8-15-12-6-9-18-10-7-12/h1-4,12,15H,5-10H2,(H2,14,16,17).
What are the key properties of 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide?
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54995674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).