2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide

C9H16N2O3S — CID 115659453

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSC(C)CO
InChIInChI=1S/C9H16N2O3S/c1-3-4-10-9(14)11-8(13)6-15-7(2)5-12/h3,7,12H,1,4-6H2,2H3,(H2,10,11,13,14)
InChIKeyVYELPNVKNXRNSH-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.11
Rot. Bonds6

About 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide

2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 115659453) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID115659453
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSC(C)CO
InChIInChI=1S/C9H16N2O3S/c1-3-4-10-9(14)11-8(13)6-15-7(2)5-12/h3,7,12H,1,4-6H2,2H3,(H2,10,11,13,14)
InChIKeyVYELPNVKNXRNSH-UHFFFAOYSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide 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

2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
2-(1-hydroxypropan-2-ylsulfanyl)-N-propylacetamide
CID 115659660
2-amino-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbutanoic acid
CID 54933807
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4815457
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115659689
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2635015
4-bromo-2-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 115381756
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4813998

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide (CID 115659453) is 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSC(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is VYELPNVKNXRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-4-10-9(14)11-8(13)6-15-7(2)5-12/h3,7,12H,1,4-6H2,2H3,(H2,10,11,13,14).
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 232.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 115659453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).