2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide

C10H20N2OS — CID 106427805

IUPAC2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
SMILESC=CCSCCNCC(=O)NCCC
InChIInChI=1S/C10H20N2OS/c1-3-5-12-10(13)9-11-6-8-14-7-4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyJDESJLPHWIXRDX-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.02
Rot. Bonds9

About 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide

2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide (PubChem CID 106427805) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
PubChem CID106427805
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
SMILESC=CCSCCNCC(=O)NCCC
InChIInChI=1S/C10H20N2OS/c1-3-5-12-10(13)9-11-6-8-14-7-4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyJDESJLPHWIXRDX-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide 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-(2-cyanoethyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 106427808
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106428073
(Z)-3-methyl-4-(2-prop-2-enylsulfanylethylamino)but-2-enoic acid
CID 106429888
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106427665
3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106427513
N,N-dimethyl-2-[[(2-prop-2-enylsulfanylethylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111777543
3-methyl-5-oxo-5-(2-prop-2-enylsulfanylethylamino)pentanoic acid
CID 106426614
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide?
The IUPAC name of 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide (CID 106427805) is 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide.
What is the SMILES notation for 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide?
The canonical SMILES for 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide is C=CCSCCNCC(=O)NCCC.
What is the InChIKey of 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide?
The InChIKey is JDESJLPHWIXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-5-12-10(13)9-11-6-8-14-7-4-2/h4,11H,2-3,5-9H2,1H3,(H,12,13).
What are the key properties of 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide?
2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide has a molecular weight of 216.35 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide is sourced from PubChem (CID 106427805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).