methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate

C16H23NO5S — CID 126819068

IUPACmethyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
SMILESCOC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C16H23NO5S/c1-12-6-4-5-9-17(12)23(19,20)15-8-7-14(21-2)10-13(15)11-16(18)22-3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeySCRPFVYPYSXBNU-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate

methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate (PubChem CID 126819068) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
PubChem CID126819068
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Namemethyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
SMILESCOC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C16H23NO5S/c1-12-6-4-5-9-17(12)23(19,20)15-8-7-14(21-2)10-13(15)11-16(18)22-3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeySCRPFVYPYSXBNU-UHFFFAOYSA-N
XLogP1.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
CID 124739758
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
methyl 2-[2-(2,2-dimethylpropanoylsulfamoyl)-5-methoxyphenyl]acetate
CID 154760397
4-ethyl-3-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 43311471
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
3-amino-4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 81470807
methyl 5-bromo-4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 42960419
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55654076

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate?
The IUPAC name of methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate (CID 126819068) is methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate?
The canonical SMILES for methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate is COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate?
The InChIKey is SCRPFVYPYSXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-12-6-4-5-9-17(12)23(19,20)15-8-7-14(21-2)10-13(15)11-16(18)22-3/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate?
methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate has a molecular weight of 341.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate is sourced from PubChem (CID 126819068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).