2-methyl-1-(2-methylbutylsulfonyl)piperazine

C10H22N2O2S — CID 119970041

IUPAC2-methyl-1-(2-methylbutylsulfonyl)piperazine
SMILESCCC(C)CS(=O)(=O)N1CCNCC1C
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)8-15(13,14)12-6-5-11-7-10(12)3/h9-11H,4-8H2,1-3H3
InChIKeyIHGWVIDZJXRARL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds4

About 2-methyl-1-(2-methylbutylsulfonyl)piperazine

2-methyl-1-(2-methylbutylsulfonyl)piperazine (PubChem CID 119970041) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutylsulfonyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutylsulfonyl)piperazine
PubChem CID119970041
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-methyl-1-(2-methylbutylsulfonyl)piperazine
SMILESCCC(C)CS(=O)(=O)N1CCNCC1C
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)8-15(13,14)12-6-5-11-7-10(12)3/h9-11H,4-8H2,1-3H3
InChIKeyIHGWVIDZJXRARL-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutylsulfonyl)piperazine?
The IUPAC name of 2-methyl-1-(2-methylbutylsulfonyl)piperazine (CID 119970041) is 2-methyl-1-(2-methylbutylsulfonyl)piperazine.
What is the SMILES notation for 2-methyl-1-(2-methylbutylsulfonyl)piperazine?
The canonical SMILES for 2-methyl-1-(2-methylbutylsulfonyl)piperazine is CCC(C)CS(=O)(=O)N1CCNCC1C.
What is the InChIKey of 2-methyl-1-(2-methylbutylsulfonyl)piperazine?
The InChIKey is IHGWVIDZJXRARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-9(2)8-15(13,14)12-6-5-11-7-10(12)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylbutylsulfonyl)piperazine?
2-methyl-1-(2-methylbutylsulfonyl)piperazine has a molecular weight of 234.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutylsulfonyl)piperazine is sourced from PubChem (CID 119970041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).