4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide

C11H20N2O2S — CID 106427399

IUPAC4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1COCC1NC
InChIInChI=1S/C11H20N2O2S/c1-3-5-16-6-4-13-11(14)9-7-15-8-10(9)12-2/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyPLFRKPKNMWIOMR-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.26
Rot. Bonds7

About 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide

4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 106427399) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
PubChem CID106427399
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1COCC1NC
InChIInChI=1S/C11H20N2O2S/c1-3-5-16-6-4-13-11(14)9-7-15-8-10(9)12-2/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyPLFRKPKNMWIOMR-UHFFFAOYSA-N
XLogP0.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (CID 106427399) is 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide is C=CCSCCNC(=O)C1COCC1NC.
What is the InChIKey of 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is PLFRKPKNMWIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-5-16-6-4-13-11(14)9-7-15-8-10(9)12-2/h3,9-10,12H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106427399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).