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

C10H12N2O3S2 — CID 106269063

IUPAC5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(C#N)s2)CCOC1
InChIInChI=1S/C10H12N2O3S2/c1-10(4-5-15-7-10)12-17(13,14)9-3-2-8(6-11)16-9/h2-3,12H,4-5,7H2,1H3
InChIKeyXSWMEWNBFMRIHN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.08
Rot. Bonds3

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

5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 106269063) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide
PubChem CID106269063
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(C#N)s2)CCOC1
InChIInChI=1S/C10H12N2O3S2/c1-10(4-5-15-7-10)12-17(13,14)9-3-2-8(6-11)16-9/h2-3,12H,4-5,7H2,1H3
InChIKeyXSWMEWNBFMRIHN-UHFFFAOYSA-N
XLogP1.08
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide (CID 106269063) is 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide is CC1(NS(=O)(=O)c2ccc(C#N)s2)CCOC1.
What is the InChIKey of 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is XSWMEWNBFMRIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-10(4-5-15-7-10)12-17(13,14)9-3-2-8(6-11)16-9/h2-3,12H,4-5,7H2,1H3.
What are the key properties of 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methyloxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).