4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

C13H21N3O3S — CID 102964531

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CCC(C)C(OC)C2)ccn1
InChIInChI=1S/C13H21N3O3S/c1-10-5-7-16(9-12(10)19-3)20(17,18)11-4-6-15-13(8-11)14-2/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,14,15)
InChIKeyISONMWHTYHAWJT-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.17
Rot. Bonds4

About 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine

4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 102964531) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID102964531
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CCC(C)C(OC)C2)ccn1
InChIInChI=1S/C13H21N3O3S/c1-10-5-7-16(9-12(10)19-3)20(17,18)11-4-6-15-13(8-11)14-2/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,14,15)
InChIKeyISONMWHTYHAWJT-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 103538331
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
[4-(3-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61226431
[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302177
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 102675663
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 102964531) is 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1cc(S(=O)(=O)N2CCC(C)C(OC)C2)ccn1.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is ISONMWHTYHAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-5-7-16(9-12(10)19-3)20(17,18)11-4-6-15-13(8-11)14-2/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,14,15).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 102964531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).