2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine

C17H32N2O3S2 — CID 166020009

IUPAC2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
SMILESCC1CCC(COC2CNCC(C3CCC(S(C)(=O)=O)CC3)N2)S1
InChIInChI=1S/C17H32N2O3S2/c1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21/h12-19H,3-11H2,1-2H3
InChIKeyJTZFQVLIPVPKJI-UHFFFAOYSA-N
MW376.59 g/mol
LogP1.78
Rot. Bonds5

About 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine

2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine (PubChem CID 166020009) has the molecular formula C17H32N2O3S2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine.

Molecular Properties

Compound Name2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
PubChem CID166020009
Molecular FormulaC17H32N2O3S2
Molecular Weight376.59 g/mol
Exact Mass376.19
IUPAC Name2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
SMILESCC1CCC(COC2CNCC(C3CCC(S(C)(=O)=O)CC3)N2)S1
InChIInChI=1S/C17H32N2O3S2/c1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21/h12-19H,3-11H2,1-2H3
InChIKeyJTZFQVLIPVPKJI-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
CID 156650313
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethoxy)piperazin-2-amine
CID 156650260
2-(4-methylsulfonylcyclohexyl)-6-(oxolan-3-ylmethoxy)piperidine
CID 156650474
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
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
2-(4-methylsulfinylcyclohexyl)-6-(thiolan-2-ylmethoxy)piperidine
CID 166020167
5-(4-methylsulfonylcyclohexyl)-3-(thiolan-2-ylmethyl)-1,2,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridine
CID 166020190
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
CID 156650484
2-(4-methylsulfonylphenyl)-6-(oxolan-3-ylmethoxy)piperazine
CID 156650329
sodium 3-(4-methylsulfonylcyclohexyl)oxypropane-1-sulfonate
CID 140700101
N-cyclohexyl-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 166020005

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine?
The IUPAC name of 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine (CID 166020009) is 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine.
What is the SMILES notation for 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine?
The canonical SMILES for 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine is CC1CCC(COC2CNCC(C3CCC(S(C)(=O)=O)CC3)N2)S1.
What is the InChIKey of 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine?
The InChIKey is JTZFQVLIPVPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S2/c1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21/h12-19H,3-11H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine?
2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine has a molecular weight of 376.59 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine is sourced from PubChem (CID 166020009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).