2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide

C7H14N2OS — CID 24703223

IUPAC2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCCN
InChIInChI=1S/C7H14N2OS/c1-2-4-9-7(10)6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyRVHHJDCBAQEVOO-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.02
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide

2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide (PubChem CID 24703223) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide
PubChem CID24703223
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCCN
InChIInChI=1S/C7H14N2OS/c1-2-4-9-7(10)6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyRVHHJDCBAQEVOO-UHFFFAOYSA-N
XLogP-0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide (CID 24703223) is 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide is C=CCNC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide?
The InChIKey is RVHHJDCBAQEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-2-4-9-7(10)6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide?
2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide has a molecular weight of 174.27 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 24703223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).