3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine

C11H15NO4S — CID 110740054

IUPAC3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCOC2)cc1C
InChIInChI=1S/C11H15NO4S/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIRVVUMKIOSBAEV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.98
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine

3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740054) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740054
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCOC2)cc1C
InChIInChI=1S/C11H15NO4S/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIRVVUMKIOSBAEV-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine (CID 110740054) is 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine is COc1ccc(S(=O)(=O)N2CCOC2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is IRVVUMKIOSBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-7-10(3-4-11(9)15-2)17(13,14)12-5-6-16-8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine?
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 257.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).