(3-methylthiophen-2-yl)methanesulfonamide

C6H9NO2S2 — CID 112687878

IUPAC(3-methylthiophen-2-yl)methanesulfonamide
SMILESCc1ccsc1CS(N)(=O)=O
InChIInChI=1S/C6H9NO2S2/c1-5-2-3-10-6(5)4-11(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyZSPZIYZAXFBEIG-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.85
Rot. Bonds2

About (3-methylthiophen-2-yl)methanesulfonamide

(3-methylthiophen-2-yl)methanesulfonamide (PubChem CID 112687878) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)methanesulfonamide.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)methanesulfonamide
PubChem CID112687878
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name(3-methylthiophen-2-yl)methanesulfonamide
SMILESCc1ccsc1CS(N)(=O)=O
InChIInChI=1S/C6H9NO2S2/c1-5-2-3-10-6(5)4-11(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9)
InChIKeyZSPZIYZAXFBEIG-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)methanesulfonamide?
The IUPAC name of (3-methylthiophen-2-yl)methanesulfonamide (CID 112687878) is (3-methylthiophen-2-yl)methanesulfonamide.
What is the SMILES notation for (3-methylthiophen-2-yl)methanesulfonamide?
The canonical SMILES for (3-methylthiophen-2-yl)methanesulfonamide is Cc1ccsc1CS(N)(=O)=O.
What is the InChIKey of (3-methylthiophen-2-yl)methanesulfonamide?
The InChIKey is ZSPZIYZAXFBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-5-2-3-10-6(5)4-11(7,8)9/h2-3H,4H2,1H3,(H2,7,8,9).
What are the key properties of (3-methylthiophen-2-yl)methanesulfonamide?
(3-methylthiophen-2-yl)methanesulfonamide has a molecular weight of 191.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)methanesulfonamide is sourced from PubChem (CID 112687878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).