N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide

C12H18N2OS2 — CID 54987860

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)c1sccc1C
InChIInChI=1S/C12H18N2OS2/c1-4-14(7-9(3)11(13)16)12(15)10-8(2)5-6-17-10/h5-6,9H,4,7H2,1-3H3,(H2,13,16)
InChIKeyOKLDEKGMEMKHPM-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.44
Rot. Bonds5

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide (PubChem CID 54987860) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
PubChem CID54987860
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC(C)C(N)=S)C(=O)c1sccc1C
InChIInChI=1S/C12H18N2OS2/c1-4-14(7-9(3)11(13)16)12(15)10-8(2)5-6-17-10/h5-6,9H,4,7H2,1-3H3,(H2,13,16)
InChIKeyOKLDEKGMEMKHPM-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethyl-4-methylbenzamide
CID 63194894
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 62538346
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethylbenzamide
CID 54987862
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65098968
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethylbenzamide
CID 54987663
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-6-fluorobenzamide
CID 54987662
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 54987417
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892916
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide (CID 54987860) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide is CCN(CC(C)C(N)=S)C(=O)c1sccc1C.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide?
The InChIKey is OKLDEKGMEMKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-14(7-9(3)11(13)16)12(15)10-8(2)5-6-17-10/h5-6,9H,4,7H2,1-3H3,(H2,13,16).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 54987860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).