4-(4-methoxy-3-methylphenyl)sulfonylmorpholine

C12H17NO4S — CID 847008

IUPAC4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C12H17NO4S/c1-10-9-11(3-4-12(10)16-2)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyWIMDZNUGWTZETI-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.02
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine

4-(4-methoxy-3-methylphenyl)sulfonylmorpholine (PubChem CID 847008) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
PubChem CID847008
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C12H17NO4S/c1-10-9-11(3-4-12(10)16-2)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyWIMDZNUGWTZETI-UHFFFAOYSA-N
XLogP1.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
4-(3-isothiocyanato-4-methoxyphenyl)sulfonylmorpholine
CID 86665423
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 935135
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
CID 113078794
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine (CID 847008) is 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine?
The InChIKey is WIMDZNUGWTZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-10-9-11(3-4-12(10)16-2)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine?
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine has a molecular weight of 271.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 847008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).