N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

C6H11N3O3S2 — CID 651754

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCCOCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C6H11N3O3S2/c1-3-12-4-5-7-8-6(13-5)9-14(2,10)11/h3-4H2,1-2H3,(H,8,9)
InChIKeyMOUBUBFUNMOTJF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.45
Rot. Bonds5

About N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 651754) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID651754
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCCOCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C6H11N3O3S2/c1-3-12-4-5-7-8-6(13-5)9-14(2,10)11/h3-4H2,1-2H3,(H,8,9)
InChIKeyMOUBUBFUNMOTJF-UHFFFAOYSA-N
XLogP0.45
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 651754) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CCOCc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is MOUBUBFUNMOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c1-3-12-4-5-7-8-6(13-5)9-14(2,10)11/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 237.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 651754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).