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

C5H9N3O2S2 — CID 3521274

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C5H9N3O2S2/c1-3-4-6-7-5(11-4)8-12(2,9)10/h3H2,1-2H3,(H,7,8)
InChIKeyYNMPHLTVJLYWDB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.47
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 3521274) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID3521274
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C5H9N3O2S2/c1-3-4-6-7-5(11-4)8-12(2,9)10/h3H2,1-2H3,(H,7,8)
InChIKeyYNMPHLTVJLYWDB-UHFFFAOYSA-N
XLogP0.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 3521274) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CCc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is YNMPHLTVJLYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c1-3-4-6-7-5(11-4)8-12(2,9)10/h3H2,1-2H3,(H,7,8).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 207.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 3521274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).