(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide

C10H20NO2S+ — CID 7116132

IUPAC(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide
SMILESCC1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h9-10H,2-8H2,1H3/p+1/t10-/m1/s1
InChIKeyJOVMZWDEIAWFSU-SNVBAGLBSA-O
MW218.34 g/mol
LogP-0.51
Rot. Bonds1

About (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide

(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide (PubChem CID 7116132) has the molecular formula C10H20NO2S+ and a molecular weight of 218.34 g/mol. Its IUPAC name is (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide
PubChem CID7116132
Molecular FormulaC10H20NO2S+
Molecular Weight218.34 g/mol
Exact Mass218.12
IUPAC Name(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide
SMILESCC1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h9-10H,2-8H2,1H3/p+1/t10-/m1/s1
InChIKeyJOVMZWDEIAWFSU-SNVBAGLBSA-O
XLogP-0.51
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide (CID 7116132) is (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide is CC1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide?
The InChIKey is JOVMZWDEIAWFSU-SNVBAGLBSA-O. The full InChI is InChI=1S/C10H19NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h9-10H,2-8H2,1H3/p+1/t10-/m1/s1.
What are the key properties of (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide?
(3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide has a molecular weight of 218.34 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylpiperidin-1-ium-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 7116132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).