3-piperidin-1-ylsulfonylthiolane 1,1-dioxide

C9H17NO4S2 — CID 558508

IUPAC3-piperidin-1-ylsulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C9H17NO4S2/c11-15(12)7-4-9(8-15)16(13,14)10-5-2-1-3-6-10/h9H,1-8H2
InChIKeyKQYCDWKMXZTNNZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP-0.01
Rot. Bonds2

About 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide

3-piperidin-1-ylsulfonylthiolane 1,1-dioxide (PubChem CID 558508) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonylthiolane 1,1-dioxide
PubChem CID558508
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name3-piperidin-1-ylsulfonylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C9H17NO4S2/c11-15(12)7-4-9(8-15)16(13,14)10-5-2-1-3-6-10/h9H,1-8H2
InChIKeyKQYCDWKMXZTNNZ-UHFFFAOYSA-N
XLogP-0.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide (CID 558508) is 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide?
The InChIKey is KQYCDWKMXZTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S2/c11-15(12)7-4-9(8-15)16(13,14)10-5-2-1-3-6-10/h9H,1-8H2.
What are the key properties of 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide?
3-piperidin-1-ylsulfonylthiolane 1,1-dioxide has a molecular weight of 267.37 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 558508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).