N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide

C12H14N2O3S2 — CID 166268849

IUPACN-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NS(=O)(=O)C2(C#N)CC2)s1
InChIInChI=1S/C12H14N2O3S2/c1-8(2)9-3-4-10(18-9)11(15)14-19(16,17)12(7-13)5-6-12/h3-4,8H,5-6H2,1-2H3,(H,14,15)
InChIKeyVSYLKDVIZNKAEJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds4

About N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide

N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide (PubChem CID 166268849) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide
PubChem CID166268849
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NS(=O)(=O)C2(C#N)CC2)s1
InChIInChI=1S/C12H14N2O3S2/c1-8(2)9-3-4-10(18-9)11(15)14-19(16,17)12(7-13)5-6-12/h3-4,8H,5-6H2,1-2H3,(H,14,15)
InChIKeyVSYLKDVIZNKAEJ-UHFFFAOYSA-N
XLogP1.99
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide (CID 166268849) is N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccc(C(=O)NS(=O)(=O)C2(C#N)CC2)s1.
What is the InChIKey of N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide?
The InChIKey is VSYLKDVIZNKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8(2)9-3-4-10(18-9)11(15)14-19(16,17)12(7-13)5-6-12/h3-4,8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide?
N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)sulfonyl-5-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 166268849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).