4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine

C13H21N3O2S — CID 62206687

IUPAC4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-3-11-5-8-16(9-6-11)19(17,18)12-4-7-15-13(14)10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15)
InChIKeyRHMPCTIGESQTAA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.86
Rot. Bonds4

About 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine

4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 62206687) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID62206687
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCCCC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-3-11-5-8-16(9-6-11)19(17,18)12-4-7-15-13(14)10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15)
InChIKeyRHMPCTIGESQTAA-UHFFFAOYSA-N
XLogP1.86
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 62206687) is 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine is CCCC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is RHMPCTIGESQTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-3-11-5-8-16(9-6-11)19(17,18)12-4-7-15-13(14)10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15).
What are the key properties of 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine?
4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 62206687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).