4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine

C14H21NOS — CID 18316083

IUPAC4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1NC(CSCc2ccccc2)CO1
InChIInChI=1S/C14H21NOS/c1-11(2)14-15-13(8-16-14)10-17-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeySTLMBRPPNJXBTP-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.89
Rot. Bonds5

About 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine

4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine (PubChem CID 18316083) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine
PubChem CID18316083
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1NC(CSCc2ccccc2)CO1
InChIInChI=1S/C14H21NOS/c1-11(2)14-15-13(8-16-14)10-17-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeySTLMBRPPNJXBTP-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine (CID 18316083) is 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine is CC(C)C1NC(CSCc2ccccc2)CO1.
What is the InChIKey of 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is STLMBRPPNJXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)14-15-13(8-16-14)10-17-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3.
What are the key properties of 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine?
4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 251.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 18316083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).