1,3-oxazolidine;thiolane

C7H15NOS — CID 174641795

IUPAC1,3-oxazolidine;thiolane
SMILESC1CCSC1.C1COCN1
InChIInChI=1S/C4H8S.C3H7NO/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;4H,1-3H2
InChIKeyZSZZURLHMOBFBD-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.08
Rot. Bonds

About 1,3-oxazolidine;thiolane

1,3-oxazolidine;thiolane (PubChem CID 174641795) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1,3-oxazolidine;thiolane.

Molecular Properties

Compound Name1,3-oxazolidine;thiolane
PubChem CID174641795
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1,3-oxazolidine;thiolane
SMILESC1CCSC1.C1COCN1
InChIInChI=1S/C4H8S.C3H7NO/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;4H,1-3H2
InChIKeyZSZZURLHMOBFBD-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine;thiolane?
The IUPAC name of 1,3-oxazolidine;thiolane (CID 174641795) is 1,3-oxazolidine;thiolane.
What is the SMILES notation for 1,3-oxazolidine;thiolane?
The canonical SMILES for 1,3-oxazolidine;thiolane is C1CCSC1.C1COCN1.
What is the InChIKey of 1,3-oxazolidine;thiolane?
The InChIKey is ZSZZURLHMOBFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.C3H7NO/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;4H,1-3H2.
What are the key properties of 1,3-oxazolidine;thiolane?
1,3-oxazolidine;thiolane has a molecular weight of 161.27 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine;thiolane is sourced from PubChem (CID 174641795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).