3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide

C14H18N2O2S — CID 64892131

IUPAC3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H18N2O2S/c1-2-9-19-12-6-4-3-5-11(12)16-13(17)14(15)7-8-18-10-14/h2-6H,1,7-10,15H2,(H,16,17)
InChIKeyDIJCWKSZBAUAJR-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.02
Rot. Bonds5

About 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide

3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide (PubChem CID 64892131) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide
PubChem CID64892131
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C14H18N2O2S/c1-2-9-19-12-6-4-3-5-11(12)16-13(17)14(15)7-8-18-10-14/h2-6H,1,7-10,15H2,(H,16,17)
InChIKeyDIJCWKSZBAUAJR-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
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 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide (CID 64892131) is 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide is C=CCSc1ccccc1NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide?
The InChIKey is DIJCWKSZBAUAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-9-19-12-6-4-3-5-11(12)16-13(17)14(15)7-8-18-10-14/h2-6H,1,7-10,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide?
3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-prop-2-enylsulfanylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).