2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol

C12H24N2O3S — CID 63002580

IUPAC2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyKPRAJJUGISXVNC-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.11
Rot. Bonds3

About 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol

2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 63002580) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID63002580
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyKPRAJJUGISXVNC-UHFFFAOYSA-N
XLogP0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 14664230
cis-(1S,2R)-2-(diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621074
2-(Diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621077
cis-(1R,2S)-2-(diethylaminomethyl)cyclohexan-1-ol;methanesulfonic acid
CID 88621078
2-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 55116494
4-Methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 55134298
2-[(4-Propylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 62610051
2-[(4-Ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 62610391
2-[[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 62890252
2-(4-Methylsulfonylpiperazin-1-yl)-4-propylcyclohexan-1-ol
CID 62992445
4-Methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
CID 62992615
4-Ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63002762

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 63002580) is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is CS(=O)(=O)N1CCN(CC2CCCCC2O)CC1.
What is the InChIKey of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is KPRAJJUGISXVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol?
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63002580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).