1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine

C11H24N2O2S — CID 59148153

IUPAC1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)5-6-12-7-9-13(10-8-12)16(4,14)15/h5-10H2,1-4H3
InChIKeyRLMUYIAOADBMJV-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine

1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine (PubChem CID 59148153) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine
PubChem CID59148153
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine
SMILESCC(C)(C)CCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)5-6-12-7-9-13(10-8-12)16(4,14)15/h5-10H2,1-4H3
InChIKeyRLMUYIAOADBMJV-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide
CID 18735776
2-Butyl-5-(2-methylpropyl)-1,2,5-thiadiazinane 1,1-dioxide
CID 21061944
1-(Methylsulfonyl)-4-propylpiperazine
CID 22772807
1-(2-Methylpropyl)-4-methylsulfonylpiperazine
CID 52351585
2,2-Dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine
CID 58405018
1-(3-Methylbutyl)-4-methylsulfonylpiperazine
CID 58721602
1-(2,2-Dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine
CID 58756709
4-Tert-butyl-2,2-dimethyl-1-methylsulfonylpiperazine
CID 59539712
2,2,4-Trimethyl-1-methylsulfonylpiperazine
CID 60002580
1,2,2-Trimethyl-4-methylsulfonylpiperazine
CID 60002608
1-Methylsulfonyl-4-(2,3,3-trimethylbutan-2-yl)piperazine
CID 68062130

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine (CID 59148153) is 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine is CC(C)(C)CCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine?
The InChIKey is RLMUYIAOADBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)5-6-12-7-9-13(10-8-12)16(4,14)15/h5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine?
1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 59148153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).