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

C7H13N3O2S2 — CID 846178

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCC(C)(C)c1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,3)5-8-9-6(13-5)10-14(4,11)12/h1-4H3,(H,9,10)
InChIKeyNCBLCJQKVIJEEZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.21
Rot. Bonds2

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 846178) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID846178
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCC(C)(C)c1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,3)5-8-9-6(13-5)10-14(4,11)12/h1-4H3,(H,9,10)
InChIKeyNCBLCJQKVIJEEZ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 846178) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CC(C)(C)c1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is NCBLCJQKVIJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-7(2,3)5-8-9-6(13-5)10-14(4,11)12/h1-4H3,(H,9,10).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 846178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).