3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine

C10H13NO3S — CID 110740223

IUPAC3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-9-11(7-8-14-9)15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyJCSNJTJVIPNVAM-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.05
Rot. Bonds2

About 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine

3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine (PubChem CID 110740223) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
PubChem CID110740223
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-9-11(7-8-14-9)15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyJCSNJTJVIPNVAM-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740284
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
CID 60620481
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(4aS,7aR)-6-(benzenesulfonyl)-N,N-dimethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-sulfonamide
CID 124804000
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine (CID 110740223) is 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine is CC1OCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine?
The InChIKey is JCSNJTJVIPNVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-9-11(7-8-14-9)15(12,13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine?
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine has a molecular weight of 227.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 110740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).