1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone

C14H20N2OS — CID 63909611

IUPAC1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CNCC(C)N1C(=O)CSc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-11-8-15-9-12(2)16(11)14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyNRUJIERSUCJPPH-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.99
Rot. Bonds3

About 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone

1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone (PubChem CID 63909611) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
PubChem CID63909611
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CNCC(C)N1C(=O)CSc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-11-8-15-9-12(2)16(11)14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyNRUJIERSUCJPPH-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 63909410
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
CID 130670860
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 153467077
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
2-(4-bromophenyl)sulfanyl-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2351345
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470861
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone (CID 63909611) is 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone is CC1CNCC(C)N1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is NRUJIERSUCJPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-8-15-9-12(2)16(11)14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone?
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 264.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 63909611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).