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

C11H17N3O3S2 — CID 167914072

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide
SMILESCC(C)(C)c1nsc(NC(=O)CS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H17N3O3S2/c1-11(2,3)9-13-10(18-14-9)12-8(15)6-19(16,17)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyKHTMTWASYYNPSD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds4

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

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide (PubChem CID 167914072) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide
PubChem CID167914072
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide
SMILESCC(C)(C)c1nsc(NC(=O)CS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H17N3O3S2/c1-11(2,3)9-13-10(18-14-9)12-8(15)6-19(16,17)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyKHTMTWASYYNPSD-UHFFFAOYSA-N
XLogP1.35
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide (CID 167914072) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide is CC(C)(C)c1nsc(NC(=O)CS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide?
The InChIKey is KHTMTWASYYNPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-11(2,3)9-13-10(18-14-9)12-8(15)6-19(16,17)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-cyclopropylsulfonylacetamide is sourced from PubChem (CID 167914072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).