1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

C21H29N3O3S — CID 45208601

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1
InChIInChI=1S/C21H29N3O3S/c1-17-9-10-20(27-3)21(15-17)28(25,26)24-13-6-8-19(16-24)23(2)14-11-18-7-4-5-12-22-18/h4-5,7,9-10,12,15,19H,6,8,11,13-14,16H2,1-3H3
InChIKeyIYKDLTUSZDISKO-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.73
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (PubChem CID 45208601) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
PubChem CID45208601
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1
InChIInChI=1S/C21H29N3O3S/c1-17-9-10-20(27-3)21(15-17)28(25,26)24-13-6-8-19(16-24)23(2)14-11-18-7-4-5-12-22-18/h4-5,7,9-10,12,15,19H,6,8,11,13-14,16H2,1-3H3
InChIKeyIYKDLTUSZDISKO-UHFFFAOYSA-N
XLogP2.73
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 42244156
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-amine
CID 42381221
(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42396448
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 41302820
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 8800412
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (CID 45208601) is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is COc1ccc(C)cc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The InChIKey is IYKDLTUSZDISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-17-9-10-20(27-3)21(15-17)28(25,26)24-13-6-8-19(16-24)23(2)14-11-18-7-4-5-12-22-18/h4-5,7,9-10,12,15,19H,6,8,11,13-14,16H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine has a molecular weight of 403.55 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is sourced from PubChem (CID 45208601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).