3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one

C10H17NO3S — CID 130256619

IUPAC3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(=O)CCCSCCN1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-9(12)3-2-7-15-8-5-11-4-6-14-10(11)13/h2-8H2,1H3
InChIKeyNMMWNKFYQICCME-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.54
Rot. Bonds7

About 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one

3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 130256619) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID130256619
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(=O)CCCSCCN1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-9(12)3-2-7-15-8-5-11-4-6-14-10(11)13/h2-8H2,1H3
InChIKeyNMMWNKFYQICCME-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
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-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one (CID 130256619) is 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one is CC(=O)CCCSCCN1CCOC1=O.
What is the InChIKey of 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is NMMWNKFYQICCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-9(12)3-2-7-15-8-5-11-4-6-14-10(11)13/h2-8H2,1H3.
What are the key properties of 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130256619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).