3-propan-2-ylsulfanyl-1,3-oxazolidine

C6H13NOS — CID 88749055

IUPAC3-propan-2-ylsulfanyl-1,3-oxazolidine
SMILESCC(C)SN1CCOC1
InChIInChI=1S/C6H13NOS/c1-6(2)9-7-3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyOFTNEUXXOPMLKG-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.33
Rot. Bonds2

About 3-propan-2-ylsulfanyl-1,3-oxazolidine

3-propan-2-ylsulfanyl-1,3-oxazolidine (PubChem CID 88749055) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-1,3-oxazolidine
PubChem CID88749055
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-propan-2-ylsulfanyl-1,3-oxazolidine
SMILESCC(C)SN1CCOC1
InChIInChI=1S/C6H13NOS/c1-6(2)9-7-3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyOFTNEUXXOPMLKG-UHFFFAOYSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-1,3-oxazolidine?
The IUPAC name of 3-propan-2-ylsulfanyl-1,3-oxazolidine (CID 88749055) is 3-propan-2-ylsulfanyl-1,3-oxazolidine.
What is the SMILES notation for 3-propan-2-ylsulfanyl-1,3-oxazolidine?
The canonical SMILES for 3-propan-2-ylsulfanyl-1,3-oxazolidine is CC(C)SN1CCOC1.
What is the InChIKey of 3-propan-2-ylsulfanyl-1,3-oxazolidine?
The InChIKey is OFTNEUXXOPMLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(2)9-7-3-4-8-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfanyl-1,3-oxazolidine?
3-propan-2-ylsulfanyl-1,3-oxazolidine has a molecular weight of 147.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-1,3-oxazolidine is sourced from PubChem (CID 88749055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).