N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide

C8H9ClN2OS2 — CID 80644976

IUPACN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
SMILESCN(CC(N)=S)C(=O)c1sccc1Cl
InChIInChI=1S/C8H9ClN2OS2/c1-11(4-6(10)13)8(12)7-5(9)2-3-14-7/h2-3H,4H2,1H3,(H2,10,13)
InChIKeyWQPAFKSFMYEYHF-UHFFFAOYSA-N
MW248.76 g/mol
LogP1.76
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide (PubChem CID 80644976) has the molecular formula C8H9ClN2OS2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
PubChem CID80644976
Molecular FormulaC8H9ClN2OS2
Molecular Weight248.76 g/mol
Exact Mass247.98
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
SMILESCN(CC(N)=S)C(=O)c1sccc1Cl
InChIInChI=1S/C8H9ClN2OS2/c1-11(4-6(10)13)8(12)7-5(9)2-3-14-7/h2-3H,4H2,1H3,(H2,10,13)
InChIKeyWQPAFKSFMYEYHF-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide (CID 80644976) is N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide is CN(CC(N)=S)C(=O)c1sccc1Cl.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide?
The InChIKey is WQPAFKSFMYEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS2/c1-11(4-6(10)13)8(12)7-5(9)2-3-14-7/h2-3H,4H2,1H3,(H2,10,13).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide has a molecular weight of 248.76 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 80644976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).