1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine

C12H24N2O4S2 — CID 63255342

IUPAC1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O4S2/c1-10(13)12-4-2-3-7-14(12)20(17,18)11-5-8-19(15,16)9-6-11/h10-12H,2-9,13H2,1H3
InChIKeyMMCVUDNJMJOYIC-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.10
Rot. Bonds3

About 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine

1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 63255342) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID63255342
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O4S2/c1-10(13)12-4-2-3-7-14(12)20(17,18)11-5-8-19(15,16)9-6-11/h10-12H,2-9,13H2,1H3
InChIKeyMMCVUDNJMJOYIC-UHFFFAOYSA-N
XLogP0.10
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine 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-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine (CID 63255342) is 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is MMCVUDNJMJOYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-10(13)12-4-2-3-7-14(12)20(17,18)11-5-8-19(15,16)9-6-11/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine?
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 63255342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).