3-(cyclohexylmethyl)-1-methylsulfonylpiperazine

C12H24N2O2S — CID 167518975

IUPAC3-(cyclohexylmethyl)-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNC(CC2CCCCC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyPBLTZFNGRPEHJF-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds3

About 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine

3-(cyclohexylmethyl)-1-methylsulfonylpiperazine (PubChem CID 167518975) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-methylsulfonylpiperazine
PubChem CID167518975
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-(cyclohexylmethyl)-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNC(CC2CCCCC2)C1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyPBLTZFNGRPEHJF-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylcyclohexyl)-4-(methylsulfonyl)piperazine
CID 644497
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 119930356
1,1-difluoro-N-[(3-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 63305108
[1-(Difluoromethylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 64022294
1-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64753829
N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
CID 64756481
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
CID 64758059
1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64758889
N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
CID 64759599

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine?
The IUPAC name of 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine (CID 167518975) is 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine?
The canonical SMILES for 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine is CS(=O)(=O)N1CCNC(CC2CCCCC2)C1.
What is the InChIKey of 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine?
The InChIKey is PBLTZFNGRPEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17(15,16)14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine?
3-(cyclohexylmethyl)-1-methylsulfonylpiperazine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 167518975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).