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

C7H13N3O2S2 — CID 21037371

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C7H13N3O2S2/c1-5-8-9-6(13-5)10-14(11,12)7(2,3)4/h1-4H3,(H,9,10)
InChIKeyQJDWBKCHQDURKZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds2

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

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide (PubChem CID 21037371) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide
PubChem CID21037371
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C7H13N3O2S2/c1-5-8-9-6(13-5)10-14(11,12)7(2,3)4/h1-4H3,(H,9,10)
InChIKeyQJDWBKCHQDURKZ-UHFFFAOYSA-N
XLogP1.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide (CID 21037371) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide is Cc1nnc(NS(=O)(=O)C(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide?
The InChIKey is QJDWBKCHQDURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-5-8-9-6(13-5)10-14(11,12)7(2,3)4/h1-4H3,(H,9,10).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 21037371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).