3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine

C15H25N3O2S — CID 104968712

IUPAC3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H25N3O2S/c1-4-10-16-15-14(9-6-11-17-15)21(19,20)18-12(2)7-5-8-13(18)3/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,16,17)/t12-,13+
InChIKeyOCUOHTCRDKCLMK-BETUJISGSA-N
MW311.45 g/mol
LogP2.86
Rot. Bonds5

About 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine (PubChem CID 104968712) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
PubChem CID104968712
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H25N3O2S/c1-4-10-16-15-14(9-6-11-17-15)21(19,20)18-12(2)7-5-8-13(18)3/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,16,17)/t12-,13+
InChIKeyOCUOHTCRDKCLMK-BETUJISGSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-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 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine (CID 104968712) is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine is CCCNc1ncccc1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
The InChIKey is OCUOHTCRDKCLMK-BETUJISGSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-10-16-15-14(9-6-11-17-15)21(19,20)18-12(2)7-5-8-13(18)3/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,16,17)/t12-,13+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine?
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine is sourced from PubChem (CID 104968712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).