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

C10H18N2O2S — CID 106427470

IUPAC4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1COCC1N
InChIInChI=1S/C10H18N2O2S/c1-2-4-15-5-3-12-10(13)8-6-14-7-9(8)11/h2,8-9H,1,3-7,11H2,(H,12,13)
InChIKeyVNGGQPMSVRCMKZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.00
Rot. Bonds6

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

4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 106427470) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
PubChem CID106427470
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1COCC1N
InChIInChI=1S/C10H18N2O2S/c1-2-4-15-5-3-12-10(13)8-6-14-7-9(8)11/h2,8-9H,1,3-7,11H2,(H,12,13)
InChIKeyVNGGQPMSVRCMKZ-UHFFFAOYSA-N
XLogP-0.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.00
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)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (CID 106427470) is 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide is C=CCSCCNC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is VNGGQPMSVRCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-4-15-5-3-12-10(13)8-6-14-7-9(8)11/h2,8-9H,1,3-7,11H2,(H,12,13).
What are the key properties of 4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
4-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 230.33 g/mol, XLogP of -0.00, 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)oxolane-3-carboxamide is sourced from PubChem (CID 106427470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).