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

C10H18N2O2S — CID 106427468

IUPAC3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H18N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h2H,1,3-8,11H2,(H,12,13)
InChIKeyHMOYVJRVPLUOST-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.14
Rot. Bonds6

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

3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 106427468) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
PubChem CID106427468
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
SMILESC=CCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H18N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h2H,1,3-8,11H2,(H,12,13)
InChIKeyHMOYVJRVPLUOST-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide (CID 106427468) is 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide is C=CCSCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is HMOYVJRVPLUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h2H,1,3-8,11H2,(H,12,13).
What are the key properties of 3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide?
3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.14, 6 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-enylsulfanylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106427468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).