2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine

C15H23NO3S — CID 110740910

IUPAC2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO3S/c1-13-16(15(2,3)12-19-13)20(17,18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyGVMGRPRLCZODQS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.41
Rot. Bonds5

About 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine

2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine (PubChem CID 110740910) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
PubChem CID110740910
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO3S/c1-13-16(15(2,3)12-19-13)20(17,18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3
InChIKeyGVMGRPRLCZODQS-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
3-[(4-fluorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740903
2,4,4-trimethyl-3-(2-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740928
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1,3-dimethyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110708340
2,2,6,6-tetramethyl-1-(2-phenylethylsulfonyl)piperidine
CID 57182545
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
(4-benzyl-5,5-dimethylmorpholin-2-yl) ethanesulfonate
CID 175064868

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine (CID 110740910) is 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine is CC1OCC(C)(C)N1S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine?
The InChIKey is GVMGRPRLCZODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13-16(15(2,3)12-19-13)20(17,18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine?
2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine has a molecular weight of 297.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-(3-phenylpropylsulfonyl)-1,3-oxazolidine is sourced from PubChem (CID 110740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).