6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine

C15H25N3O2S — CID 95825150

IUPAC6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cccc(CC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H25N3O2S/c1-12(2)16-15-6-4-5-14(17-15)11-13-7-9-18(10-8-13)21(3,19)20/h4-6,12-13H,7-11H2,1-3H3,(H,16,17)
InChIKeyXTHNOCXIBSOOTA-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.12
Rot. Bonds5

About 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine

6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 95825150) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID95825150
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cccc(CC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H25N3O2S/c1-12(2)16-15-6-4-5-14(17-15)11-13-7-9-18(10-8-13)21(3,19)20/h4-6,12-13H,7-11H2,1-3H3,(H,16,17)
InChIKeyXTHNOCXIBSOOTA-UHFFFAOYSA-N
XLogP2.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine (CID 95825150) is 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1cccc(CC2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is XTHNOCXIBSOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)16-15-6-4-5-14(17-15)11-13-7-9-18(10-8-13)21(3,19)20/h4-6,12-13H,7-11H2,1-3H3,(H,16,17).
What are the key properties of 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine?
6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylsulfonylpiperidin-4-yl)methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 95825150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).