3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine

C12H19N3O3S — CID 79604536

IUPAC3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
SMILESCS(=O)(=O)N1CCCC(COc2cccnc2N)C1
InChIInChI=1S/C12H19N3O3S/c1-19(16,17)15-7-3-4-10(8-15)9-18-11-5-2-6-14-12(11)13/h2,5-6,10H,3-4,7-9H2,1H3,(H2,13,14)
InChIKeyXQHCGVYMKWIBNZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.71
Rot. Bonds4

About 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine

3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine (PubChem CID 79604536) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
PubChem CID79604536
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
SMILESCS(=O)(=O)N1CCCC(COc2cccnc2N)C1
InChIInChI=1S/C12H19N3O3S/c1-19(16,17)15-7-3-4-10(8-15)9-18-11-5-2-6-14-12(11)13/h2,5-6,10H,3-4,7-9H2,1H3,(H2,13,14)
InChIKeyXQHCGVYMKWIBNZ-UHFFFAOYSA-N
XLogP0.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
CID 114764358
[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
CID 114320416
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
3-[(5-bromo-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine
CID 107284258
5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzaldehyde
CID 79612879
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 105116188
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
CID 107709460

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine (CID 79604536) is 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine is CS(=O)(=O)N1CCCC(COc2cccnc2N)C1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine?
The InChIKey is XQHCGVYMKWIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(16,17)15-7-3-4-10(8-15)9-18-11-5-2-6-14-12(11)13/h2,5-6,10H,3-4,7-9H2,1H3,(H2,13,14).
What are the key properties of 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine?
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine is sourced from PubChem (CID 79604536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).