(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine

C10H22N2O2S — CID 104975178

IUPAC(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
SMILESCC(C)CCS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)4-7-15(13,14)12-6-5-11-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyFIVVATJAAOWTDI-SNVBAGLBSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds4

About (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine

(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine (PubChem CID 104975178) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
PubChem CID104975178
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
SMILESCC(C)CCS(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)4-7-15(13,14)12-6-5-11-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyFIVVATJAAOWTDI-SNVBAGLBSA-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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Related Compounds

3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
1-[(E)-but-2-enyl]sulfonyl-3-methylpiperazine
CID 131240629
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 63857866
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
1-benzylsulfonyl-3-methylpiperazine
CID 65449944

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine (CID 104975178) is (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine is CC(C)CCS(=O)(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine?
The InChIKey is FIVVATJAAOWTDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)4-7-15(13,14)12-6-5-11-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine?
(3R)-3-methyl-1-(3-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 (3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine is sourced from PubChem (CID 104975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).