2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine

C17H31NO2S2 — CID 166020167

IUPAC2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
SMILESCS(=O)C1CCC(C2CCCC(OCC3CCCS3)N2)CC1
InChIInChI=1S/C17H31NO2S2/c1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14/h13-18H,2-12H2,1H3
InChIKeySMVHBWTXTLBWRV-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine

2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine (PubChem CID 166020167) has the molecular formula C17H31NO2S2 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
PubChem CID166020167
Molecular FormulaC17H31NO2S2
Molecular Weight345.57 g/mol
Exact Mass345.18
IUPAC Name2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
SMILESCS(=O)C1CCC(C2CCCC(OCC3CCCS3)N2)CC1
InChIInChI=1S/C17H31NO2S2/c1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14/h13-18H,2-12H2,1H3
InChIKeySMVHBWTXTLBWRV-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine?
The IUPAC name of 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine (CID 166020167) is 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine.
What is the SMILES notation for 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine?
The canonical SMILES for 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine is CS(=O)C1CCC(C2CCCC(OCC3CCCS3)N2)CC1.
What is the InChIKey of 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine?
The InChIKey is SMVHBWTXTLBWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S2/c1-22(19)15-9-7-13(8-10-15)16-5-2-6-17(18-16)20-12-14-4-3-11-21-14/h13-18H,2-12H2,1H3.
What are the key properties of 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine?
2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine has a molecular weight of 345.57 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine is sourced from PubChem (CID 166020167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).