1-ethyl-2-sulfonylpiperidin-4-amine

C7H14N2O2S — CID 87491599

IUPAC1-ethyl-2-sulfonylpiperidin-4-amine
SMILESCCN1CCC(N)CC1=S(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-2-9-4-3-6(8)5-7(9)12(10)11/h6H,2-5,8H2,1H3
InChIKeyQVNFQDBMYNJLNC-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.56
Rot. Bonds1

About 1-ethyl-2-sulfonylpiperidin-4-amine

1-ethyl-2-sulfonylpiperidin-4-amine (PubChem CID 87491599) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-ethyl-2-sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-2-sulfonylpiperidin-4-amine
PubChem CID87491599
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-ethyl-2-sulfonylpiperidin-4-amine
SMILESCCN1CCC(N)CC1=S(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-2-9-4-3-6(8)5-7(9)12(10)11/h6H,2-5,8H2,1H3
InChIKeyQVNFQDBMYNJLNC-UHFFFAOYSA-N
XLogP-0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-ethyl-2-sulfonylpiperidin-4-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-ethyl-2-sulfonylpiperidin-4-amine?
The IUPAC name of 1-ethyl-2-sulfonylpiperidin-4-amine (CID 87491599) is 1-ethyl-2-sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-2-sulfonylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-2-sulfonylpiperidin-4-amine is CCN1CCC(N)CC1=S(=O)=O.
What is the InChIKey of 1-ethyl-2-sulfonylpiperidin-4-amine?
The InChIKey is QVNFQDBMYNJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-9-4-3-6(8)5-7(9)12(10)11/h6H,2-5,8H2,1H3.
What are the key properties of 1-ethyl-2-sulfonylpiperidin-4-amine?
1-ethyl-2-sulfonylpiperidin-4-amine has a molecular weight of 190.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-sulfonylpiperidin-4-amine is sourced from PubChem (CID 87491599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).