N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide

C9H12N2OS2 — CID 61120272

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-6(9(10)13)11-8(12)5-7-3-2-4-14-7/h2-4,6H,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyUYOLJXSFUIPECO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.08
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 61120272) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
PubChem CID61120272
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-6(9(10)13)11-8(12)5-7-3-2-4-14-7/h2-4,6H,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyUYOLJXSFUIPECO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
CID 47450824
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide (CID 61120272) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is UYOLJXSFUIPECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-6(9(10)13)11-8(12)5-7-3-2-4-14-7/h2-4,6H,5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 61120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).