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

C9H9N3O2S2 — CID 106266730

IUPAC5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9N3O2S2/c1-2-7(5-10)12-16(13,14)9-4-3-8(6-11)15-9/h3-4,7,12H,2H2,1H3
InChIKeyYCGTZOHTRHNGAA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.20
Rot. Bonds4

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

5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide (PubChem CID 106266730) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
PubChem CID106266730
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H9N3O2S2/c1-2-7(5-10)12-16(13,14)9-4-3-8(6-11)15-9/h3-4,7,12H,2H2,1H3
InChIKeyYCGTZOHTRHNGAA-UHFFFAOYSA-N
XLogP1.20
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
N-(2-aminoethyl)-2,5-dimethylthiophene-3-sulfonamide hydrochloride
CID 71756742
N-[(1S)-1-cyanobutyl]-5-ethylthiophene-2-sulfonamide
CID 93871061
2-cyano-N-[(1-ethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 126835322
1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide
CID 172528702
N-cyclopropyl-2,5-dimethylthiophene-3-sulfonamide
CID 718923
5-[(Aminomethyl)ethynyl]thiophene-2-sulfonamide
CID 129877720
5-(2-aminoethyl)-N-(4,4,4-trifluorobutan-2-yl)thiophene-2-sulfonamide
CID 105942690
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267435
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267891
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide (CID 106266730) is 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide is CCC(C#N)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide?
The InChIKey is YCGTZOHTRHNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-2-7(5-10)12-16(13,14)9-4-3-8(6-11)15-9/h3-4,7,12H,2H2,1H3.
What are the key properties of 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide?
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide has a molecular weight of 255.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).