N-(4-cyanobutyl)thiophene-2-sulfonamide

C9H12N2O2S2 — CID 63297087

IUPACN-(4-cyanobutyl)thiophene-2-sulfonamide
SMILESN#CCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C9H12N2O2S2/c10-6-2-1-3-7-11-15(12,13)9-5-4-8-14-9/h4-5,8,11H,1-3,7H2
InChIKeyMKTSJNKLXIIHJI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.72
Rot. Bonds6

About N-(4-cyanobutyl)thiophene-2-sulfonamide

N-(4-cyanobutyl)thiophene-2-sulfonamide (PubChem CID 63297087) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(4-cyanobutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)thiophene-2-sulfonamide
PubChem CID63297087
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC NameN-(4-cyanobutyl)thiophene-2-sulfonamide
SMILESN#CCCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C9H12N2O2S2/c10-6-2-1-3-7-11-15(12,13)9-5-4-8-14-9/h4-5,8,11H,1-3,7H2
InChIKeyMKTSJNKLXIIHJI-UHFFFAOYSA-N
XLogP1.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentylthiophene-2-sulfonamide
CID 5150701
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
1-N,2-N,3-N-tris(6-cyanohexyl)benzene-1,2,3-trisulfonamide
CID 161168550
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-cyanobutyl)thiophene-2-sulfonamide (CID 63297087) is N-(4-cyanobutyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-cyanobutyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-cyanobutyl)thiophene-2-sulfonamide is N#CCCCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-cyanobutyl)thiophene-2-sulfonamide?
The InChIKey is MKTSJNKLXIIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c10-6-2-1-3-7-11-15(12,13)9-5-4-8-14-9/h4-5,8,11H,1-3,7H2.
What are the key properties of N-(4-cyanobutyl)thiophene-2-sulfonamide?
N-(4-cyanobutyl)thiophene-2-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63297087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).