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'}

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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).