3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide

C9H18N2O2S — CID 64892610

IUPAC3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide
SMILESCSCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O2S/c1-14-6-2-4-11-8(12)9(10)3-5-13-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyPKQFFWDSOANHHU-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide

3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide (PubChem CID 64892610) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide
PubChem CID64892610
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide
SMILESCSCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H18N2O2S/c1-14-6-2-4-11-8(12)9(10)3-5-13-7-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyPKQFFWDSOANHHU-UHFFFAOYSA-N
XLogP-0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide (CID 64892610) is 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide is CSCCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide?
The InChIKey is PKQFFWDSOANHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14-6-2-4-11-8(12)9(10)3-5-13-7-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide?
3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).