2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

C10H18ClNO2S — CID 15713182

IUPAC2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCCSCC1CN(C(=O)CCl)C(C)(C)O1
InChIInChI=1S/C10H18ClNO2S/c1-4-15-7-8-6-12(9(13)5-11)10(2,3)14-8/h8H,4-7H2,1-3H3
InChIKeyHUAKRIAVDVAKSD-UHFFFAOYSA-N
MW251.78 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 15713182) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID15713182
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCCSCC1CN(C(=O)CCl)C(C)(C)O1
InChIInChI=1S/C10H18ClNO2S/c1-4-15-7-8-6-12(9(13)5-11)10(2,3)14-8/h8H,4-7H2,1-3H3
InChIKeyHUAKRIAVDVAKSD-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
CID 70235502
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 23043343
2-chloro-1-(2-methylaziridin-1-yl)ethanone
CID 21490095
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
tert-butyl (4S)-4-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23650636
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 114781198
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
CID 144775228
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone (CID 15713182) is 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is CCSCC1CN(C(=O)CCl)C(C)(C)O1.
What is the InChIKey of 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is HUAKRIAVDVAKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-4-15-7-8-6-12(9(13)5-11)10(2,3)14-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone?
2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 251.78 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 15713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).