1-(2-methyl-2-propylsulfonylpropyl)piperazine

C11H24N2O2S — CID 117037847

IUPAC1-(2-methyl-2-propylsulfonylpropyl)piperazine
SMILESCCCS(=O)(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-4-9-16(14,15)11(2,3)10-13-7-5-12-6-8-13/h12H,4-10H2,1-3H3
InChIKeyVJDYDXAGEZIEFE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds5

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

1-(2-methyl-2-propylsulfonylpropyl)piperazine (PubChem CID 117037847) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methyl-2-propylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-2-propylsulfonylpropyl)piperazine
PubChem CID117037847
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-methyl-2-propylsulfonylpropyl)piperazine
SMILESCCCS(=O)(=O)C(C)(C)CN1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-4-9-16(14,15)11(2,3)10-13-7-5-12-6-8-13/h12H,4-10H2,1-3H3
InChIKeyVJDYDXAGEZIEFE-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpentyl)piperazine
CID 83530331
1-(2-ethylsulfonylpropan-2-yl)piperazine
CID 117037875
(2-methyl-1-piperazin-1-ylpropan-2-yl) acetate
CID 167431823
1-(2,2,4,4-tetramethylhexyl)piperazine
CID 134351462
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
1-piperazin-1-ylbutane-2,2-diamine
CID 57309719
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-propylsulfonylpropyl)piperazine?
The IUPAC name of 1-(2-methyl-2-propylsulfonylpropyl)piperazine (CID 117037847) is 1-(2-methyl-2-propylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-(2-methyl-2-propylsulfonylpropyl)piperazine?
The canonical SMILES for 1-(2-methyl-2-propylsulfonylpropyl)piperazine is CCCS(=O)(=O)C(C)(C)CN1CCNCC1.
What is the InChIKey of 1-(2-methyl-2-propylsulfonylpropyl)piperazine?
The InChIKey is VJDYDXAGEZIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-9-16(14,15)11(2,3)10-13-7-5-12-6-8-13/h12H,4-10H2,1-3H3.
What are the key properties of 1-(2-methyl-2-propylsulfonylpropyl)piperazine?
1-(2-methyl-2-propylsulfonylpropyl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-propylsulfonylpropyl)piperazine is sourced from PubChem (CID 117037847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).