3-(methylsulfanylmethyl)thiophene-2-sulfonamide

C6H9NO2S3 — CID 14051927

IUPAC3-(methylsulfanylmethyl)thiophene-2-sulfonamide
SMILESCSCc1ccsc1S(N)(=O)=O
InChIInChI=1S/C6H9NO2S3/c1-10-4-5-2-3-11-6(5)12(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyIYPXEFXDTDOXQN-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.26
Rot. Bonds3

About 3-(methylsulfanylmethyl)thiophene-2-sulfonamide

3-(methylsulfanylmethyl)thiophene-2-sulfonamide (PubChem CID 14051927) has the molecular formula C6H9NO2S3 and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)thiophene-2-sulfonamide
PubChem CID14051927
Molecular FormulaC6H9NO2S3
Molecular Weight223.34 g/mol
Exact Mass222.98
IUPAC Name3-(methylsulfanylmethyl)thiophene-2-sulfonamide
SMILESCSCc1ccsc1S(N)(=O)=O
InChIInChI=1S/C6H9NO2S3/c1-10-4-5-2-3-11-6(5)12(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyIYPXEFXDTDOXQN-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-(methylsulfanylmethyl)thiophene-2-sulfonamide (CID 14051927) is 3-(methylsulfanylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-(methylsulfanylmethyl)thiophene-2-sulfonamide is CSCc1ccsc1S(N)(=O)=O.
What is the InChIKey of 3-(methylsulfanylmethyl)thiophene-2-sulfonamide?
The InChIKey is IYPXEFXDTDOXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S3/c1-10-4-5-2-3-11-6(5)12(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9).
What are the key properties of 3-(methylsulfanylmethyl)thiophene-2-sulfonamide?
3-(methylsulfanylmethyl)thiophene-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 14051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).