4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide

C11H20N2O2S — CID 103845760

IUPAC4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide
SMILESC=CCSCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-2-8-16-9-5-13-10(14)11(12)3-6-15-7-4-11/h2H,1,3-9,12H2,(H,13,14)
InChIKeyXSGUOIYQGLNTCF-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.53
Rot. Bonds6

About 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide

4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide (PubChem CID 103845760) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide
PubChem CID103845760
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide
SMILESC=CCSCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-2-8-16-9-5-13-10(14)11(12)3-6-15-7-4-11/h2H,1,3-9,12H2,(H,13,14)
InChIKeyXSGUOIYQGLNTCF-UHFFFAOYSA-N
XLogP0.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.53
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-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide (CID 103845760) is 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide is C=CCSCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide?
The InChIKey is XSGUOIYQGLNTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-8-16-9-5-13-10(14)11(12)3-6-15-7-4-11/h2H,1,3-9,12H2,(H,13,14).
What are the key properties of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide?
4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-prop-2-enylsulfanylethyl)oxane-4-carboxamide is sourced from PubChem (CID 103845760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).