2-ethylsulfanyl-N-methylpropane-1-sulfonamide

C6H15NO2S2 — CID 90339176

IUPAC2-ethylsulfanyl-N-methylpropane-1-sulfonamide
SMILESCCSC(C)CS(=O)(=O)NC
InChIInChI=1S/C6H15NO2S2/c1-4-10-6(2)5-11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyKXLRUORIRAFTTB-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.68
Rot. Bonds5

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

2-ethylsulfanyl-N-methylpropane-1-sulfonamide (PubChem CID 90339176) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methylpropane-1-sulfonamide
PubChem CID90339176
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name2-ethylsulfanyl-N-methylpropane-1-sulfonamide
SMILESCCSC(C)CS(=O)(=O)NC
InChIInChI=1S/C6H15NO2S2/c1-4-10-6(2)5-11(8,9)7-3/h6-7H,4-5H2,1-3H3
InChIKeyKXLRUORIRAFTTB-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methylpropane-1-sulfonamide?
The IUPAC name of 2-ethylsulfanyl-N-methylpropane-1-sulfonamide (CID 90339176) is 2-ethylsulfanyl-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 2-ethylsulfanyl-N-methylpropane-1-sulfonamide?
The canonical SMILES for 2-ethylsulfanyl-N-methylpropane-1-sulfonamide is CCSC(C)CS(=O)(=O)NC.
What is the InChIKey of 2-ethylsulfanyl-N-methylpropane-1-sulfonamide?
The InChIKey is KXLRUORIRAFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-4-10-6(2)5-11(8,9)7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N-methylpropane-1-sulfonamide?
2-ethylsulfanyl-N-methylpropane-1-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 2-ethylsulfanyl-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 90339176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).