5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

C11H14N2O3S2 — CID 106268803

IUPAC5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O3S2/c1-8-10(5-6-16-8)13(2)18(14,15)11-4-3-9(7-12)17-11/h3-4,8,10H,5-6H2,1-2H3
InChIKeyPKWPZEVXNBKDJH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds3

About 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 106268803) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
PubChem CID106268803
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O3S2/c1-8-10(5-6-16-8)13(2)18(14,15)11-4-3-9(7-12)17-11/h3-4,8,10H,5-6H2,1-2H3
InChIKeyPKWPZEVXNBKDJH-UHFFFAOYSA-N
XLogP1.42
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (CID 106268803) is 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is PKWPZEVXNBKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-8-10(5-6-16-8)13(2)18(14,15)11-4-3-9(7-12)17-11/h3-4,8,10H,5-6H2,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).