3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride

C10H23ClN2O2S — CID 119924370

IUPAC3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
SMILESCC1CN(CCS(=O)(=O)C(C)C)CCN1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)7-6-12-5-4-11-10(3)8-12;/h9-11H,4-8H2,1-3H3;1H
InChIKeyYIABEDSAKCLTJB-UHFFFAOYSA-N
MW270.83 g/mol
LogP0.53
Rot. Bonds4

About 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride

3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride (PubChem CID 119924370) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
PubChem CID119924370
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
SMILESCC1CN(CCS(=O)(=O)C(C)C)CCN1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)7-6-12-5-4-11-10(3)8-12;/h9-11H,4-8H2,1-3H3;1H
InChIKeyYIABEDSAKCLTJB-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
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1-(2-propan-2-ylsulfonylethyl)-3-propyl-1,4-diazepane
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3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
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(3aS,6aS)-5-(2-propan-2-ylsulfonylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 106732677
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
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1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
CID 65447506
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3-carboxylic acid
CID 106727543
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
CID 131010612
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CID 106732690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride (CID 119924370) is 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride is CC1CN(CCS(=O)(=O)C(C)C)CCN1.Cl.
What is the InChIKey of 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The InChIKey is YIABEDSAKCLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-9(2)15(13,14)7-6-12-5-4-11-10(3)8-12;/h9-11H,4-8H2,1-3H3;1H.
What are the key properties of 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride is sourced from PubChem (CID 119924370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).