3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide

C10H20N2O3S — CID 106310882

IUPAC3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCSCCCO)CCOC1
InChIInChI=1S/C10H20N2O3S/c11-10(2-5-15-8-10)9(14)12-3-7-16-6-1-4-13/h13H,1-8,11H2,(H,12,14)
InChIKeyCWOYKDILGCUWEH-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.66
Rot. Bonds7

About 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide

3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide (PubChem CID 106310882) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide
PubChem CID106310882
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCSCCCO)CCOC1
InChIInChI=1S/C10H20N2O3S/c11-10(2-5-15-8-10)9(14)12-3-7-16-6-1-4-13/h13H,1-8,11H2,(H,12,14)
InChIKeyCWOYKDILGCUWEH-UHFFFAOYSA-N
XLogP-0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide (CID 106310882) is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide is NC1(C(=O)NCCSCCCO)CCOC1.
What is the InChIKey of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide?
The InChIKey is CWOYKDILGCUWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-10(2-5-15-8-10)9(14)12-3-7-16-6-1-4-13/h13H,1-8,11H2,(H,12,14).
What are the key properties of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106310882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).