1-(2-tert-butylsulfonylethyl)-2-methylpiperazine

C11H24N2O2S — CID 103815390

IUPAC1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
SMILESCC1CNCCN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10-9-12-5-6-13(10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyLGWIPAMJQSZJJW-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine

1-(2-tert-butylsulfonylethyl)-2-methylpiperazine (PubChem CID 103815390) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
PubChem CID103815390
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
SMILESCC1CNCCN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-10-9-12-5-6-13(10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyLGWIPAMJQSZJJW-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
2-(2-methylpiperazin-1-yl)ethanesulfonamide
CID 114385448
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
2-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 103815391
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
CID 65250987
4-[2-[(2S)-2-methylpiperazin-1-yl]ethylsulfonyl]benzonitrile
CID 82755904
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
CID 120837084
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine (CID 103815390) is 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine is CC1CNCCN1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine?
The InChIKey is LGWIPAMJQSZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10-9-12-5-6-13(10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine?
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2-methylpiperazine is sourced from PubChem (CID 103815390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).