N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

C13H20N2O2S2 — CID 79942375

IUPACN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S2/c1-3-14-19(16,17)13-6-4-11(5-7-13)15-12-8-10(2)18-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyHPVRULWGUHXCCO-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (PubChem CID 79942375) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
PubChem CID79942375
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C13H20N2O2S2/c1-3-14-19(16,17)13-6-4-11(5-7-13)15-12-8-10(2)18-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyHPVRULWGUHXCCO-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiolan-3-amine
CID 79942443
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
CID 106334177
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (CID 79942375) is N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CSC(C)C2)cc1.
What is the InChIKey of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The InChIKey is HPVRULWGUHXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-3-14-19(16,17)13-6-4-11(5-7-13)15-12-8-10(2)18-9-12/h4-7,10,12,14-15H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79942375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).