3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide

C10H19NO4S2 — CID 20995137

IUPAC3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO4S2/c1-9-2-5-11(6-3-9)17(14,15)10-4-7-16(12,13)8-10/h9-10H,2-8H2,1H3
InChIKeyCDMZZZUIRDWRFW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.24
Rot. Bonds2

About 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide

3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide (PubChem CID 20995137) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
PubChem CID20995137
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
SMILESCC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO4S2/c1-9-2-5-11(6-3-9)17(14,15)10-4-7-16(12,13)8-10/h9-10H,2-8H2,1H3
InChIKeyCDMZZZUIRDWRFW-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide (CID 20995137) is 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide is CC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
The InChIKey is CDMZZZUIRDWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-9-2-5-11(6-3-9)17(14,15)10-4-7-16(12,13)8-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide?
3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide has a molecular weight of 281.40 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide is sourced from PubChem (CID 20995137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).