methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate

C14H19NO5S — CID 79764305

IUPACmethyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2cccc(C)c2)CCO1
InChIInChI=1S/C14H19NO5S/c1-11-4-3-5-13(8-11)21(17,18)15-6-7-20-12(10-15)9-14(16)19-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyICLZMSIIWTZHOX-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate

methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate (PubChem CID 79764305) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
PubChem CID79764305
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)c2cccc(C)c2)CCO1
InChIInChI=1S/C14H19NO5S/c1-11-4-3-5-13(8-11)21(17,18)15-6-7-20-12(10-15)9-14(16)19-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyICLZMSIIWTZHOX-UHFFFAOYSA-N
XLogP0.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
methyl 2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-2-yl]acetate
CID 79765579
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
methyl 2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]acetate
CID 79931537
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
methyl 4-(3-bromophenyl)sulfonylmorpholine-2-carboxylate
CID 78927097
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate (CID 79764305) is methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate is COC(=O)CC1CN(S(=O)(=O)c2cccc(C)c2)CCO1.
What is the InChIKey of methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate?
The InChIKey is ICLZMSIIWTZHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-11-4-3-5-13(8-11)21(17,18)15-6-7-20-12(10-15)9-14(16)19-2/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate?
methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate is sourced from PubChem (CID 79764305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).