ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine

C7H17NOS — CID 178146932

IUPACethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine
SMILESCC.CSN1COCC1C
InChIInChI=1S/C5H11NOS.C2H6/c1-5-3-7-4-6(5)8-2;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyIHXGFLWKVJDVHD-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.97
Rot. Bonds1

About ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine

ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine (PubChem CID 178146932) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine
PubChem CID178146932
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nameethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine
SMILESCC.CSN1COCC1C
InChIInChI=1S/C5H11NOS.C2H6/c1-5-3-7-4-6(5)8-2;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyIHXGFLWKVJDVHD-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.97
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 ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine?
The IUPAC name of ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine (CID 178146932) is ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine.
What is the SMILES notation for ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine?
The canonical SMILES for ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine is CC.CSN1COCC1C.
What is the InChIKey of ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine?
The InChIKey is IHXGFLWKVJDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C2H6/c1-5-3-7-4-6(5)8-2;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine?
ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine has a molecular weight of 163.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-methylsulfanyl-1,3-oxazolidine is sourced from PubChem (CID 178146932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).