(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine

C12H24N2O2S — CID 104975328

IUPAC(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
SMILESC[C@@H]1CN(C2CCCC(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C12H24N2O2S/c1-10-9-14(7-6-13-10)11-4-3-5-12(8-11)17(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyBFSKJNOVIQHKSH-VOMCLLRMSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds2

About (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine

(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine (PubChem CID 104975328) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
PubChem CID104975328
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
SMILESC[C@@H]1CN(C2CCCC(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C12H24N2O2S/c1-10-9-14(7-6-13-10)11-4-3-5-12(8-11)17(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyBFSKJNOVIQHKSH-VOMCLLRMSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-cyclopropyl-3-methylpiperazine
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(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
(3R)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104975923
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
CID 156515970
2-[1-(3-methylsulfonylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 114802518
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
CID 114511142
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
CID 106780697
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine (CID 104975328) is (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine is C[C@@H]1CN(C2CCCC(S(C)(=O)=O)C2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine?
The InChIKey is BFSKJNOVIQHKSH-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-9-14(7-6-13-10)11-4-3-5-12(8-11)17(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine?
(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine is sourced from PubChem (CID 104975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).