(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone

C14H20N2O3S — CID 65461530

IUPAC(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2)10-15-8-9-16(14)13(17)11-4-6-12(7-5-11)20(3,18)19/h4-7,15H,8-10H2,1-3H3
InChIKeyUQENZMKYYJKSKR-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.91
Rot. Bonds2

About (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone

(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 65461530) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID65461530
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-14(2)10-15-8-9-16(14)13(17)11-4-6-12(7-5-11)20(3,18)19/h4-7,15H,8-10H2,1-3H3
InChIKeyUQENZMKYYJKSKR-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
(4-chlorophenyl)-(2,2-dimethyl-1,4-diazepan-1-yl)methanone
CID 82247007
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65463334
2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462739
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
CID 65462532
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 65460537
(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 65462722
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 115737561
(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462950
2,2-dimethyl-1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 65462205

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone (CID 65461530) is (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone is CC1(C)CNCCN1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is UQENZMKYYJKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2)10-15-8-9-16(14)13(17)11-4-6-12(7-5-11)20(3,18)19/h4-7,15H,8-10H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone?
(2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 296.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 65461530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).