N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide

C13H20N2OS2 — CID 82103669

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CCC(N)=S)C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2OS2/c1-2-3-7-15(8-6-12(14)17)13(16)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H2,14,17)
InChIKeyUWWAYGIIAMSUSA-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.60
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide (PubChem CID 82103669) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
PubChem CID82103669
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CCC(N)=S)C(=O)Cc1cccs1
InChIInChI=1S/C13H20N2OS2/c1-2-3-7-15(8-6-12(14)17)13(16)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H2,14,17)
InChIKeyUWWAYGIIAMSUSA-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide
CID 42701018
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide
CID 82103676
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112995358
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide (CID 82103669) is N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide is CCCCN(CCC(N)=S)C(=O)Cc1cccs1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide?
The InChIKey is UWWAYGIIAMSUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-2-3-7-15(8-6-12(14)17)13(16)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide has a molecular weight of 284.45 g/mol, XLogP of 2.60, 8 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-butyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82103669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).