1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride

C12H25ClN2O2S — CID 123132411

IUPAC1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride
SMILESCS(=O)(=O)N1CCN(C2CCCCCC2)CC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-17(15,16)14-10-8-13(9-11-14)12-6-4-2-3-5-7-12;/h12H,2-11H2,1H3;1H
InChIKeyMPYQMCFNWGBPDP-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.71
Rot. Bonds2

About 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride

1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride (PubChem CID 123132411) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride
PubChem CID123132411
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride
SMILESCS(=O)(=O)N1CCN(C2CCCCCC2)CC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-17(15,16)14-10-8-13(9-11-14)12-6-4-2-3-5-7-12;/h12H,2-11H2,1H3;1H
InChIKeyMPYQMCFNWGBPDP-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-2,6-Dimethyl-1-methyl sulfonyl piperidine
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1-Cyclohexyl-4-(methylsulfonyl)piperazine
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2-Ethyl-1-(methylsulfonyl)piperidine
CID 4400374
1-Cyclooctyl-4-(methylsulfonyl)piperazine
CID 1151856
(2R)-2-ethyl-1-methylsulfonylpiperidine
CID 1543882
2,6-Dimethyl-1-methylsulfonylpiperidine
CID 4459964
N-methyl-N-(1-methylpiperidin-3-yl)methanesulfonamide
CID 54215494
N,N-dimethyl-1-methylsulfonylpiperidin-3-amine
CID 58035151
N-(2-piperidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 58659540
N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine
CID 59691461
5-Ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine
CID 70209961

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride (CID 123132411) is 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride is CS(=O)(=O)N1CCN(C2CCCCCC2)CC1.Cl.
What is the InChIKey of 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride?
The InChIKey is MPYQMCFNWGBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S.ClH/c1-17(15,16)14-10-8-13(9-11-14)12-6-4-2-3-5-7-12;/h12H,2-11H2,1H3;1H.
What are the key properties of 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride?
1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride has a molecular weight of 296.86 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-methylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 123132411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).