2-[(2-methylthian-3-yl)amino]ethanesulfonamide

C8H18N2O2S2 — CID 79957817

IUPAC2-[(2-methylthian-3-yl)amino]ethanesulfonamide
SMILESCC1SCCCC1NCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O2S2/c1-7-8(3-2-5-13-7)10-4-6-14(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyDXFJVNLPBJBIDV-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.15
Rot. Bonds4

About 2-[(2-methylthian-3-yl)amino]ethanesulfonamide

2-[(2-methylthian-3-yl)amino]ethanesulfonamide (PubChem CID 79957817) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[(2-methylthian-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-methylthian-3-yl)amino]ethanesulfonamide
PubChem CID79957817
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Name2-[(2-methylthian-3-yl)amino]ethanesulfonamide
SMILESCC1SCCCC1NCCS(N)(=O)=O
InChIInChI=1S/C8H18N2O2S2/c1-7-8(3-2-5-13-7)10-4-6-14(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyDXFJVNLPBJBIDV-UHFFFAOYSA-N
XLogP0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylthian-3-yl)amino]ethanesulfonamide 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 2-[(2-methylthian-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-methylthian-3-yl)amino]ethanesulfonamide (CID 79957817) is 2-[(2-methylthian-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-methylthian-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-methylthian-3-yl)amino]ethanesulfonamide is CC1SCCCC1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(2-methylthian-3-yl)amino]ethanesulfonamide?
The InChIKey is DXFJVNLPBJBIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-7-8(3-2-5-13-7)10-4-6-14(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 2-[(2-methylthian-3-yl)amino]ethanesulfonamide?
2-[(2-methylthian-3-yl)amino]ethanesulfonamide has a molecular weight of 238.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylthian-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 79957817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).