5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide

C10H11N3O2S2 — CID 106266731

IUPAC5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-3-8(6-11)13-17(14,15)10-5-4-9(7-12)16-10/h4-5,8,13H,2-3H2,1H3
InChIKeyAMIBUUFJUFAKTD-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.59
Rot. Bonds5

About 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide

5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide (PubChem CID 106266731) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
PubChem CID106266731
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-3-8(6-11)13-17(14,15)10-5-4-9(7-12)16-10/h4-5,8,13H,2-3H2,1H3
InChIKeyAMIBUUFJUFAKTD-UHFFFAOYSA-N
XLogP1.59
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
CID 114166270
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
4-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123069
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
N-(1-cyanobutyl)-4-nitrobenzenesulfonamide
CID 61122661
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide (CID 106266731) is 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide is CCCC(C#N)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide?
The InChIKey is AMIBUUFJUFAKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-2-3-8(6-11)13-17(14,15)10-5-4-9(7-12)16-10/h4-5,8,13H,2-3H2,1H3.
What are the key properties of 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide?
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).