1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

C19H25N3O2S — CID 24794249

IUPAC1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCN(CCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(15-12-17-8-5-6-13-20-17)18-9-7-14-22(16-18)25(23,24)19-10-3-2-4-11-19/h2-6,8,10-11,13,18H,7,9,12,14-16H2,1H3
InChIKeyLXEIUEQKIRELLK-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.41
Rot. Bonds6

About 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (PubChem CID 24794249) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
PubChem CID24794249
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC Name1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCN(CCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21(15-12-17-8-5-6-13-20-17)18-9-7-14-22(16-18)25(23,24)19-10-3-2-4-11-19/h2-6,8,10-11,13,18H,7,9,12,14-16H2,1H3
InChIKeyLXEIUEQKIRELLK-UHFFFAOYSA-N
XLogP2.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (CID 24794249) is 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is CN(CCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The InChIKey is LXEIUEQKIRELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(15-12-17-8-5-6-13-20-17)18-9-7-14-22(16-18)25(23,24)19-10-3-2-4-11-19/h2-6,8,10-11,13,18H,7,9,12,14-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine has a molecular weight of 359.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is sourced from PubChem (CID 24794249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).