1-ethylsulfanyl-N-methylpropane-2-sulfonamide

C6H15NO2S2 — CID 90339001

IUPAC1-ethylsulfanyl-N-methylpropane-2-sulfonamide
SMILESCCSCC(C)S(=O)(=O)NC
InChIInChI=1S/C6H15NO2S2/c1-4-10-5-6(2)11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyHNLQUPMSPWNGFN-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.68
Rot. Bonds5

About 1-ethylsulfanyl-N-methylpropane-2-sulfonamide

1-ethylsulfanyl-N-methylpropane-2-sulfonamide (PubChem CID 90339001) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-ethylsulfanyl-N-methylpropane-2-sulfonamide
PubChem CID90339001
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name1-ethylsulfanyl-N-methylpropane-2-sulfonamide
SMILESCCSCC(C)S(=O)(=O)NC
InChIInChI=1S/C6H15NO2S2/c1-4-10-5-6(2)11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyHNLQUPMSPWNGFN-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfanyl-N-methylpropane-2-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 1-ethylsulfanyl-N-methylpropane-2-sulfonamide?
The IUPAC name of 1-ethylsulfanyl-N-methylpropane-2-sulfonamide (CID 90339001) is 1-ethylsulfanyl-N-methylpropane-2-sulfonamide.
What is the SMILES notation for 1-ethylsulfanyl-N-methylpropane-2-sulfonamide?
The canonical SMILES for 1-ethylsulfanyl-N-methylpropane-2-sulfonamide is CCSCC(C)S(=O)(=O)NC.
What is the InChIKey of 1-ethylsulfanyl-N-methylpropane-2-sulfonamide?
The InChIKey is HNLQUPMSPWNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-4-10-5-6(2)11(8,9)7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-N-methylpropane-2-sulfonamide?
1-ethylsulfanyl-N-methylpropane-2-sulfonamide has a molecular weight of 197.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 90339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).