2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine

C20H21N3S — CID 140747992

IUPAC2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(SCCN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C20H21N3S/c1-2-10-20(11-3-1)24-15-14-23(16-18-8-4-6-12-21-18)17-19-9-5-7-13-22-19/h1-13H,14-17H2
InChIKeyYEOGBXDAZPKHFF-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.27
Rot. Bonds8

About 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine

2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine (PubChem CID 140747992) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
PubChem CID140747992
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(SCCN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C20H21N3S/c1-2-10-20(11-3-1)24-15-14-23(16-18-8-4-6-12-21-18)17-19-9-5-7-13-22-19/h1-13H,14-17H2
InChIKeyYEOGBXDAZPKHFF-UHFFFAOYSA-N
XLogP4.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
CID 102450368
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 102131469
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine (CID 140747992) is 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine is c1ccc(SCCN(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The InChIKey is YEOGBXDAZPKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-2-10-20(11-3-1)24-15-14-23(16-18-8-4-6-12-21-18)17-19-9-5-7-13-22-19/h1-13H,14-17H2.
What are the key properties of 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine?
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine has a molecular weight of 335.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 140747992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).