N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide

C9H12N2O2S2 — CID 75484819

IUPACN-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC#N)c(C)s1
InChIInChI=1S/C9H12N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11(3)5-4-10/h6H,5H2,1-3H3
InChIKeySSWJMKDFDQUGQZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.51
Rot. Bonds3

About N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide

N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide (PubChem CID 75484819) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide
PubChem CID75484819
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC NameN-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC#N)c(C)s1
InChIInChI=1S/C9H12N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11(3)5-4-10/h6H,5H2,1-3H3
InChIKeySSWJMKDFDQUGQZ-UHFFFAOYSA-N
XLogP1.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide (CID 75484819) is N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)CC#N)c(C)s1.
What is the InChIKey of N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The InChIKey is SSWJMKDFDQUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-7-6-9(8(2)14-7)15(12,13)11(3)5-4-10/h6H,5H2,1-3H3.
What are the key properties of N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide?
N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide is sourced from PubChem (CID 75484819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).