N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide

C8H10N2O2S2 — CID 61454174

IUPACN-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#N)s1
InChIInChI=1S/C8H10N2O2S2/c1-2-7-3-4-8(13-7)14(11,12)10-6-5-9/h3-4,10H,2,6H2,1H3
InChIKeyUYHAALPCAQXKFF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.11
Rot. Bonds4

About N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide

N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 61454174) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
PubChem CID61454174
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC NameN-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC#N)s1
InChIInChI=1S/C8H10N2O2S2/c1-2-7-3-4-8(13-7)14(11,12)10-6-5-9/h3-4,10H,2,6H2,1H3
InChIKeyUYHAALPCAQXKFF-UHFFFAOYSA-N
XLogP1.11
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756970
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-5-ethylthiophene-2-sulfonamide
CID 90554362
N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide
CID 81429511
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide (CID 61454174) is N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC#N)s1.
What is the InChIKey of N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is UYHAALPCAQXKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-2-7-3-4-8(13-7)14(11,12)10-6-5-9/h3-4,10H,2,6H2,1H3.
What are the key properties of N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide?
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 230.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).