5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

C10H14N2O3S2 — CID 106269433

IUPAC5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H14N2O3S2/c1-7(2)9(6-13)12-17(14,15)10-4-3-8(5-11)16-10/h3-4,7,9,12-13H,6H2,1-2H3
InChIKeyDVNVXJSRUBHUBL-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.91
Rot. Bonds5

About 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 106269433) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID106269433
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H14N2O3S2/c1-7(2)9(6-13)12-17(14,15)10-4-3-8(5-11)16-10/h3-4,7,9,12-13H,6H2,1-2H3
InChIKeyDVNVXJSRUBHUBL-UHFFFAOYSA-N
XLogP0.91
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (CID 106269433) is 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is CC(C)C(CO)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is DVNVXJSRUBHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-7(2)9(6-13)12-17(14,15)10-4-3-8(5-11)16-10/h3-4,7,9,12-13H,6H2,1-2H3.
What are the key properties of 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 274.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).