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

C10H12N2O3S2 — CID 106268804

IUPAC5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H12N2O3S2/c1-12(8-4-5-15-7-8)17(13,14)10-3-2-9(6-11)16-10/h2-3,8H,4-5,7H2,1H3
InChIKeyOPRJYLKIQDWZSN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.03
Rot. Bonds3

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

5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 106268804) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
PubChem CID106268804
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H12N2O3S2/c1-12(8-4-5-15-7-8)17(13,14)10-3-2-9(6-11)16-10/h2-3,8H,4-5,7H2,1H3
InChIKeyOPRJYLKIQDWZSN-UHFFFAOYSA-N
XLogP1.03
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.03
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-(oxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (CID 106268804) is 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is CN(C1CCOC1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is OPRJYLKIQDWZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-12(8-4-5-15-7-8)17(13,14)10-3-2-9(6-11)16-10/h2-3,8H,4-5,7H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.03, 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-(oxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).