2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine

C15H30N2O3S — CID 156650313

IUPAC2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
SMILESCC(C)COC1CNCC(C2CCC(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C15H30N2O3S/c1-11(2)10-20-15-9-16-8-14(17-15)12-4-6-13(7-5-12)21(3,18)19/h11-17H,4-10H2,1-3H3
InChIKeyJLMZWTRHJQNAFZ-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.15
Rot. Bonds5

About 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine

2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine (PubChem CID 156650313) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
PubChem CID156650313
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
SMILESCC(C)COC1CNCC(C2CCC(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C15H30N2O3S/c1-11(2)10-20-15-9-16-8-14(17-15)12-4-6-13(7-5-12)21(3,18)19/h11-17H,4-10H2,1-3H3
InChIKeyJLMZWTRHJQNAFZ-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
CID 166020009
2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
CID 156650474
N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine
CID 156650287
2-[6-(4-methylsulfonylcyclohexyl)piperazin-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 166020088
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
CID 156650260
3-(2-methylpropylsulfonyl)azetidine
CID 71778262
7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
CID 131652458
N-cyclohexyl-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 166020005
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
2-methylpropyl piperidine-4-sulfonate
CID 177194986
2-methylpropylsulfonylcyclopropane
CID 58333627

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine?
The IUPAC name of 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine (CID 156650313) is 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine.
What is the SMILES notation for 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine?
The canonical SMILES for 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine is CC(C)COC1CNCC(C2CCC(S(C)(=O)=O)CC2)N1.
What is the InChIKey of 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine?
The InChIKey is JLMZWTRHJQNAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-11(2)10-20-15-9-16-8-14(17-15)12-4-6-13(7-5-12)21(3,18)19/h11-17H,4-10H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine?
2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine has a molecular weight of 318.48 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine is sourced from PubChem (CID 156650313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).