2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

C10H20N2O3S — CID 17249257

IUPAC2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)9(13)11-5-7-12(8-6-11)16(4,14)15/h5-8H2,1-4H3
InChIKeyBUWKGSDBGCJNOX-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.14
Rot. Bonds1

About 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 17249257) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID17249257
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)9(13)11-5-7-12(8-6-11)16(4,14)15/h5-8H2,1-4H3
InChIKeyBUWKGSDBGCJNOX-UHFFFAOYSA-N
XLogP0.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (CID 17249257) is 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is BUWKGSDBGCJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,3)9(13)11-5-7-12(8-6-11)16(4,14)15/h5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 248.35 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).