(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride

C12H25ClN2O2S — CID 120717011

IUPAC(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-11-9-13-7-8-14(11)17(15,16)10-12-5-3-2-4-6-12;/h11-13H,2-10H2,1H3;1H/t11-;/m1./s1
InChIKeyVODCIHFEWNKKRI-RFVHGSKJSA-N
MW296.86 g/mol
LogP1.61
Rot. Bonds3

About (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride

(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride (PubChem CID 120717011) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
PubChem CID120717011
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
SMILESC[C@@H]1CNCCN1S(=O)(=O)CC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-11-9-13-7-8-14(11)17(15,16)10-12-5-3-2-4-6-12;/h11-13H,2-10H2,1H3;1H/t11-;/m1./s1
InChIKeyVODCIHFEWNKKRI-RFVHGSKJSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62331848
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
CID 103828936
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
2-methyl-1-(2-methylbutylsulfonyl)piperazine
CID 119970041
(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
(2R)-2-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120716948
9-(cyclohexylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719768

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride (CID 120717011) is (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1S(=O)(=O)CC1CCCCC1.Cl.
What is the InChIKey of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride?
The InChIKey is VODCIHFEWNKKRI-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H24N2O2S.ClH/c1-11-9-13-7-8-14(11)17(15,16)10-12-5-3-2-4-6-12;/h11-13H,2-10H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride?
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride has a molecular weight of 296.86 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120717011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).