N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide

C12H16N2OS2 — CID 54996464

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C12H16N2OS2/c1-8-5-7-17-11(8)12(15)14(9-2-3-9)6-4-10(13)16/h5,7,9H,2-4,6H2,1H3,(H2,13,16)
InChIKeyQSWFDZUSZXAVQJ-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.34
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide (PubChem CID 54996464) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
PubChem CID54996464
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C12H16N2OS2/c1-8-5-7-17-11(8)12(15)14(9-2-3-9)6-4-10(13)16/h5,7,9H,2-4,6H2,1H3,(H2,13,16)
InChIKeyQSWFDZUSZXAVQJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-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-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
CID 55240299
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropyl-4-methylbenzamide
CID 81472167
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentyl-4-methylbenzamide
CID 82103884
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 54996507
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913
N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
CID 107961735
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
CID 79120887
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide (CID 54996464) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide?
The InChIKey is QSWFDZUSZXAVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8-5-7-17-11(8)12(15)14(9-2-3-9)6-4-10(13)16/h5,7,9H,2-4,6H2,1H3,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 54996464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).