N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide

C8H15NOS2 — CID 106433479

IUPACN-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
SMILESC=CCSCCNC(=O)C(C)S
InChIInChI=1S/C8H15NOS2/c1-3-5-12-6-4-9-8(10)7(2)11/h3,7,11H,1,4-6H2,2H3,(H,9,10)
InChIKeyYNDPJSMSTDTIMH-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.34
Rot. Bonds6

About N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide

N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide (PubChem CID 106433479) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
PubChem CID106433479
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
SMILESC=CCSCCNC(=O)C(C)S
InChIInChI=1S/C8H15NOS2/c1-3-5-12-6-4-9-8(10)7(2)11/h3,7,11H,1,4-6H2,2H3,(H,9,10)
InChIKeyYNDPJSMSTDTIMH-UHFFFAOYSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.34
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide 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

3-methyl-N-(2-prop-2-enylsulfanylethyl)-2-sulfanylbutanamide
CID 106433485
2-methyl-3-oxo-3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106433133
3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106427513
(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
CID 103833010
N-but-3-enyl-2-sulfanylpropanamide
CID 107035126
3-methyl-5-oxo-5-(2-prop-2-enylsulfanylethylamino)pentanoic acid
CID 106426614
4-methyl-2-(2-prop-2-enylsulfanylethylcarbamoylamino)pentanoic acid
CID 113363770
2-[1-(2-prop-2-enylsulfanylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106430852
3-[ethyl(2-prop-2-enylsulfanylethylcarbamoyl)amino]butanoic acid
CID 106430357
(E)-4-oxo-4-(2-prop-2-enylsulfanylethylamino)but-2-enoic acid
CID 106426638
1-piperidin-1-yl-2-(2-prop-2-enylsulfanylethylamino)propan-1-one
CID 106427819
2,2-dimethyl-3-(2-prop-2-enylsulfanylethylcarbamoylamino)propanoic acid
CID 106430622

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide (CID 106433479) is N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide is C=CCSCCNC(=O)C(C)S.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide?
The InChIKey is YNDPJSMSTDTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-3-5-12-6-4-9-8(10)7(2)11/h3,7,11H,1,4-6H2,2H3,(H,9,10).
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide?
N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide has a molecular weight of 205.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide is sourced from PubChem (CID 106433479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).