1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine

C11H24N2O2S — CID 103828936

IUPAC1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10-9-12-6-7-13(10)16(14,15)8-5-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeySQLKTACHHGDVSB-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds3

About 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine

1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine (PubChem CID 103828936) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
PubChem CID103828936
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
SMILESCC1CNCCN1S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10-9-12-6-7-13(10)16(14,15)8-5-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeySQLKTACHHGDVSB-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
methyl 3-[(2S)-2-methylpiperazin-1-yl]sulfonylpropanoate
CID 82755874
N-tert-butyl-2-methylpiperazine-1-sulfonamide
CID 114810673
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
2-methyl-1-(2-methylbutylsulfonyl)piperazine
CID 119970041
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
4-[[(2R)-2-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 82755488

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine (CID 103828936) is 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine is CC1CNCCN1S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine?
The InChIKey is SQLKTACHHGDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10-9-12-6-7-13(10)16(14,15)8-5-11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine?
1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine is sourced from PubChem (CID 103828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).