N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide

C9H12N2OS2 — CID 62665926

IUPACN-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCC(N)=S)s1
InChIInChI=1S/C9H12N2OS2/c1-6-2-3-7(14-6)9(12)11-5-4-8(10)13/h2-3H,4-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyURMNKKJGOYETIO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide (PubChem CID 62665926) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
PubChem CID62665926
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCC(N)=S)s1
InChIInChI=1S/C9H12N2OS2/c1-6-2-3-7(14-6)9(12)11-5-4-8(10)13/h2-3H,4-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyURMNKKJGOYETIO-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide (CID 62665926) is N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCC(N)=S)s1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is URMNKKJGOYETIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-6-2-3-7(14-6)9(12)11-5-4-8(10)13/h2-3H,4-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 62665926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).