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

C6H11N3O2S2 — CID 4165418

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CC)s1
InChIInChI=1S/C6H11N3O2S2/c1-3-5-7-8-6(12-5)9-13(10,11)4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyGPDCQMNEJAFQOJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.86
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide (PubChem CID 4165418) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
PubChem CID4165418
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
SMILESCCc1nnc(NS(=O)(=O)CC)s1
InChIInChI=1S/C6H11N3O2S2/c1-3-5-7-8-6(12-5)9-13(10,11)4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyGPDCQMNEJAFQOJ-UHFFFAOYSA-N
XLogP0.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.86
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)ethanesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide (CID 4165418) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide is CCc1nnc(NS(=O)(=O)CC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide?
The InChIKey is GPDCQMNEJAFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-3-5-7-8-6(12-5)9-13(10,11)4-2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide has a molecular weight of 221.31 g/mol, XLogP of 0.86, 4 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)ethanesulfonamide is sourced from PubChem (CID 4165418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).