1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine

C14H21NO4S — CID 19682578

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C)c(OC)c1
InChIInChI=1S/C14H21NO4S/c1-11-6-4-5-9-15(11)20(16,17)14-8-7-12(18-2)10-13(14)19-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyNNISLVUSPXMYQL-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine

1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 19682578) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID19682578
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C)c(OC)c1
InChIInChI=1S/C14H21NO4S/c1-11-6-4-5-9-15(11)20(16,17)14-8-7-12(18-2)10-13(14)19-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyNNISLVUSPXMYQL-UHFFFAOYSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
CID 126819068
(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
CID 124739758
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
3-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331910
2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 102945935
1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperidine
CID 46633525
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69082954

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine (CID 19682578) is 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is NNISLVUSPXMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-6-4-5-9-15(11)20(16,17)14-8-7-12(18-2)10-13(14)19-3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine?
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 299.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 19682578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).