3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one

C9H17NO2S — CID 130298025

IUPAC3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)SCCN1CCOC1=O
InChIInChI=1S/C9H17NO2S/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3
InChIKeyBGGBIERIKPGDNJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.97
Rot. Bonds3

About 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one

3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 130298025) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID130298025
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)SCCN1CCOC1=O
InChIInChI=1S/C9H17NO2S/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3
InChIKeyBGGBIERIKPGDNJ-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(Diethylamino)ethylsulfanyl]-3-fluoro-1,3-oxazolidin-2-one
CID 57127431
tert-butyl (4S)-4-[bis(ethylsulfanyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11290617
S-[5-(2-oxo-1,3-oxazolidin-3-yl)pent-4-ynyl] ethanethioate
CID 135074484
3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 164674983
Tert-butyl 2-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 20624360
Tert-butyl 3-methoxy-4-methylsulfanylpyrrolidine-1-carboxylate
CID 54070407
tert-Butyl (4S)-2,2-dimethyl-4-[(methylsulfanyl)methyl]-1,3-oxazolidine-3-carboxylate
CID 58893797
2-O-methyl 3-O-(2-methylpropyl) 1,3-thiazolidine-2,3-dicarboxylate
CID 66619701
(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
CID 67937114
3-O-butyl 2-O-methyl 1,3-thiazolidine-2,3-dicarboxylate
CID 69129083
tert-butyl (2S)-2-(hydroxymethyl)-1,3-thiazolidine-3-carboxylate
CID 117960852
(4R)-4-(butylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 118310757

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one (CID 130298025) is 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one is CC(C)(C)SCCN1CCOC1=O.
What is the InChIKey of 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is BGGBIERIKPGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)13-7-5-10-4-6-12-8(10)11/h4-7H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one?
3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 203.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130298025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).