3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide

C10H19NO4S2 — CID 22693957

IUPAC3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CCCCN1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-9-4-2-3-6-11(9)17(14,15)10-5-7-16(12,13)8-10/h9-10H,2-8H2,1H3
InChIKeyDZOCBKRQOKTLLY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.38
Rot. Bonds2

About 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide

3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 22693957) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
PubChem CID22693957
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CCCCN1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-9-4-2-3-6-11(9)17(14,15)10-5-7-16(12,13)8-10/h9-10H,2-8H2,1H3
InChIKeyDZOCBKRQOKTLLY-UHFFFAOYSA-N
XLogP0.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide (CID 22693957) is 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide is CC1CCCCN1S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is DZOCBKRQOKTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-9-4-2-3-6-11(9)17(14,15)10-5-7-16(12,13)8-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 281.40 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 22693957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).