N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

C4H7N3O2S2 — CID 645242

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C4H7N3O2S2/c1-3-5-6-4(10-3)7-11(2,8)9/h1-2H3,(H,6,7)
InChIKeySUFUAKJTXOWVSS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.22
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 645242) has the molecular formula C4H7N3O2S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID645242
Molecular FormulaC4H7N3O2S2
Molecular Weight193.25 g/mol
Exact Mass193.00
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C4H7N3O2S2/c1-3-5-6-4(10-3)7-11(2,8)9/h1-2H3,(H,6,7)
InChIKeySUFUAKJTXOWVSS-UHFFFAOYSA-N
XLogP0.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 645242) is N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is Cc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is SUFUAKJTXOWVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S2/c1-3-5-6-4(10-3)7-11(2,8)9/h1-2H3,(H,6,7).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 193.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 645242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).