5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide

C11H16N2O3S2 — CID 106269325

IUPAC5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2O3S2/c1-13(7-3-2-4-8-14)18(15,16)11-6-5-10(9-12)17-11/h5-6,14H,2-4,7-8H2,1H3
InChIKeyMDBWQRJWTVGWQG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.40
Rot. Bonds7

About 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide

5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide (PubChem CID 106269325) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
PubChem CID106269325
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2O3S2/c1-13(7-3-2-4-8-14)18(15,16)11-6-5-10(9-12)17-11/h5-6,14H,2-4,7-8H2,1H3
InChIKeyMDBWQRJWTVGWQG-UHFFFAOYSA-N
XLogP1.40
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
2-[(5-cyanothiophen-2-yl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 106268960
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide (CID 106269325) is 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide is CN(CCCCCO)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is MDBWQRJWTVGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-13(7-3-2-4-8-14)18(15,16)11-6-5-10(9-12)17-11/h5-6,14H,2-4,7-8H2,1H3.
What are the key properties of 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide?
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106269325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).