1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine

C14H23N3O2S — CID 114598203

IUPAC1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C14H23N3O2S/c1-3-8-15-12-6-5-10-17(11-12)14-13(20(2,18)19)7-4-9-16-14/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyJUOMPRULQXLBEN-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.45
Rot. Bonds5

About 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine

1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine (PubChem CID 114598203) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
PubChem CID114598203
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C14H23N3O2S/c1-3-8-15-12-6-5-10-17(11-12)14-13(20(2,18)19)7-4-9-16-14/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyJUOMPRULQXLBEN-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine (CID 114598203) is 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine is CCCNC1CCCN(c2ncccc2S(C)(=O)=O)C1.
What is the InChIKey of 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine?
The InChIKey is JUOMPRULQXLBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-8-15-12-6-5-10-17(11-12)14-13(20(2,18)19)7-4-9-16-14/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine?
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine has a molecular weight of 297.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 114598203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).