2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane

C12H17NO3S — CID 110739862

IUPAC2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2C)cc1
InChIInChI=1S/C12H17NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-8-3-9-16-11(13)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyGSLUPAUACBHJQY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane

2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane (PubChem CID 110739862) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
PubChem CID110739862
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2C)cc1
InChIInChI=1S/C12H17NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-8-3-9-16-11(13)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyGSLUPAUACBHJQY-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740284
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3275625
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 134965346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane (CID 110739862) is 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane is Cc1ccc(S(=O)(=O)N2CCCOC2C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The InChIKey is GSLUPAUACBHJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-4-6-12(7-5-10)17(14,15)13-8-3-9-16-11(13)2/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane has a molecular weight of 255.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane is sourced from PubChem (CID 110739862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).