1-propylsulfonylpiperidin-3-amine

C8H18N2O2S — CID 43189416

IUPAC1-propylsulfonylpiperidin-3-amine
SMILESCCCS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h8H,2-7,9H2,1H3
InChIKeyJRNINAVGYNFGHK-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds3

About 1-propylsulfonylpiperidin-3-amine

1-propylsulfonylpiperidin-3-amine (PubChem CID 43189416) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-propylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-propylsulfonylpiperidin-3-amine
PubChem CID43189416
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-propylsulfonylpiperidin-3-amine
SMILESCCCS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h8H,2-7,9H2,1H3
InChIKeyJRNINAVGYNFGHK-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propylsulfonylpiperidin-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-propylsulfonylpiperidin-3-amine?
The IUPAC name of 1-propylsulfonylpiperidin-3-amine (CID 43189416) is 1-propylsulfonylpiperidin-3-amine.
What is the SMILES notation for 1-propylsulfonylpiperidin-3-amine?
The canonical SMILES for 1-propylsulfonylpiperidin-3-amine is CCCS(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 1-propylsulfonylpiperidin-3-amine?
The InChIKey is JRNINAVGYNFGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-propylsulfonylpiperidin-3-amine?
1-propylsulfonylpiperidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperidin-3-amine is sourced from PubChem (CID 43189416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).