N-(5-methylthiophen-3-yl)methanesulfonamide

C6H9NO2S2 — CID 154470515

IUPACN-(5-methylthiophen-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cs1
InChIInChI=1S/C6H9NO2S2/c1-5-3-6(4-10-5)7-11(2,8)9/h3-4,7H,1-2H3
InChIKeyGLXSKPNWZIDBMV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.43
Rot. Bonds2

About N-(5-methylthiophen-3-yl)methanesulfonamide

N-(5-methylthiophen-3-yl)methanesulfonamide (PubChem CID 154470515) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(5-methylthiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylthiophen-3-yl)methanesulfonamide
PubChem CID154470515
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC NameN-(5-methylthiophen-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cs1
InChIInChI=1S/C6H9NO2S2/c1-5-3-6(4-10-5)7-11(2,8)9/h3-4,7H,1-2H3
InChIKeyGLXSKPNWZIDBMV-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiophen-3-yl)methanesulfonamide?
The IUPAC name of N-(5-methylthiophen-3-yl)methanesulfonamide (CID 154470515) is N-(5-methylthiophen-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methylthiophen-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-methylthiophen-3-yl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)cs1.
What is the InChIKey of N-(5-methylthiophen-3-yl)methanesulfonamide?
The InChIKey is GLXSKPNWZIDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-5-3-6(4-10-5)7-11(2,8)9/h3-4,7H,1-2H3.
What are the key properties of N-(5-methylthiophen-3-yl)methanesulfonamide?
N-(5-methylthiophen-3-yl)methanesulfonamide has a molecular weight of 191.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 154470515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).