(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone

C14H20N2OS — CID 79217052

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C14H20N2OS/c1-10-8-15-9-11(2)16(10)14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyQPQOBGGCZXAXKN-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.23
Rot. Bonds2

About (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone (PubChem CID 79217052) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
PubChem CID79217052
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1C(C)CNCC1C
InChIInChI=1S/C14H20N2OS/c1-10-8-15-9-11(2)16(10)14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyQPQOBGGCZXAXKN-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598
(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 63909603
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 63911957
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910582
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
(2,6-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103806814

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone (CID 79217052) is (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1C(C)CNCC1C.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is QPQOBGGCZXAXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-8-15-9-11(2)16(10)14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).