N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide

C15H24N2O2S2 — CID 84593932

IUPACN-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(NC2CCSCC2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-11-21(18,19)17-15-6-4-5-14(12(15)2)16-13-7-9-20-10-8-13/h4-6,13,16-17H,3,7-11H2,1-2H3
InChIKeyIMQUVUUYJFOUNS-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.45
Rot. Bonds6

About N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide

N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide (PubChem CID 84593932) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide
PubChem CID84593932
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(NC2CCSCC2)c1C
InChIInChI=1S/C15H24N2O2S2/c1-3-11-21(18,19)17-15-6-4-5-14(12(15)2)16-13-7-9-20-10-8-13/h4-6,13,16-17H,3,7-11H2,1-2H3
InChIKeyIMQUVUUYJFOUNS-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide (CID 84593932) is N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(NC2CCSCC2)c1C.
What is the InChIKey of N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide?
The InChIKey is IMQUVUUYJFOUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-11-21(18,19)17-15-6-4-5-14(12(15)2)16-13-7-9-20-10-8-13/h4-6,13,16-17H,3,7-11H2,1-2H3.
What are the key properties of N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide?
N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(thian-4-ylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 84593932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).