2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine

C17H31NO4S — CID 156650474

IUPAC2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
SMILESCS(=O)(=O)C1CCC(C2CCCC(OCC3CCOC3)N2)CC1
InChIInChI=1S/C17H31NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h13-18H,2-12H2,1H3
InChIKeyBOXXCFOMCFEFNU-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine

2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine (PubChem CID 156650474) has the molecular formula C17H31NO4S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine.

Molecular Properties

Compound Name2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
PubChem CID156650474
Molecular FormulaC17H31NO4S
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC Name2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
SMILESCS(=O)(=O)C1CCC(C2CCCC(OCC3CCOC3)N2)CC1
InChIInChI=1S/C17H31NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h13-18H,2-12H2,1H3
InChIKeyBOXXCFOMCFEFNU-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine
CID 156650263
2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
CID 156650313
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
CID 156650236
2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine
CID 156650329
oxolan-3-ylmethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 54976992
2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
CID 166020167
N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 156650298
3-(oxolan-3-ylmethoxy)cyclohexan-1-one
CID 79618597
ethane;3-(methoxymethyl)oxolane
CID 143285946
2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
CID 99782856
2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 65045602
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987433

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine?
The IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine (CID 156650474) is 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine.
What is the SMILES notation for 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine?
The canonical SMILES for 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine is CS(=O)(=O)C1CCC(C2CCCC(OCC3CCOC3)N2)CC1.
What is the InChIKey of 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine?
The InChIKey is BOXXCFOMCFEFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4S/c1-23(19,20)15-7-5-14(6-8-15)16-3-2-4-17(18-16)22-12-13-9-10-21-11-13/h13-18H,2-12H2,1H3.
What are the key properties of 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine?
2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine has a molecular weight of 345.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine is sourced from PubChem (CID 156650474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).