2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone

C15H20Cl2N2OS — CID 119561173

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2OS/c1-18-13-4-6-19(7-5-13)15(20)10-21-9-11-2-3-12(16)8-14(11)17/h2-3,8,13,18H,4-7,9-10H2,1H3
InChIKeyRUFCFPMDQIQFRT-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.44
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone

2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 119561173) has the molecular formula C15H20Cl2N2OS and a molecular weight of 347.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID119561173
Molecular FormulaC15H20Cl2N2OS
Molecular Weight347.31 g/mol
Exact Mass346.07
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2OS/c1-18-13-4-6-19(7-5-13)15(20)10-21-9-11-2-3-12(16)8-14(11)17/h2-3,8,13,18H,4-7,9-10H2,1H3
InChIKeyRUFCFPMDQIQFRT-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 94038330
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354855
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110903824
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649806
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
1-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55914884
3-[1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 60575467
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 119561173) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is RUFCFPMDQIQFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2OS/c1-18-13-4-6-19(7-5-13)15(20)10-21-9-11-2-3-12(16)8-14(11)17/h2-3,8,13,18H,4-7,9-10H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 347.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119561173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).