5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one

C13H26N2O3S — CID 130266325

IUPAC5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
SMILESCC(C)(C)CCCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)7-5-6-12(16)14-8-10-15(11-9-14)19(4,17)18/h5-11H2,1-4H3
InChIKeyHOMYMHKQKNDDTF-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.31
Rot. Bonds4

About 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one

5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one (PubChem CID 130266325) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
PubChem CID130266325
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
SMILESCC(C)(C)CCCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)7-5-6-12(16)14-8-10-15(11-9-14)19(4,17)18/h5-11H2,1-4H3
InChIKeyHOMYMHKQKNDDTF-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
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1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
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5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
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2-[4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
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2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
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4-pentanoylpiperazine-1-sulfonamide
CID 61072587
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
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CID 82308981

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one (CID 130266325) is 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one is CC(C)(C)CCCC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one?
The InChIKey is HOMYMHKQKNDDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2,3)7-5-6-12(16)14-8-10-15(11-9-14)19(4,17)18/h5-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one?
5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one has a molecular weight of 290.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 130266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).