2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine

C13H13ClN2S — CID 55020002

IUPAC2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESNCC(Sc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-4-10(8-11)12(9-15)17-13-6-1-2-7-16-13/h1-8,12H,9,15H2
InChIKeyYYPHODAXFARRKG-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.53
Rot. Bonds4

About 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine

2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine (PubChem CID 55020002) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
PubChem CID55020002
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESNCC(Sc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-4-10(8-11)12(9-15)17-13-6-1-2-7-16-13/h1-8,12H,9,15H2
InChIKeyYYPHODAXFARRKG-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
2-(4-bromophenyl)sulfanyl-2-(3-chlorophenyl)ethanamine
CID 55019714
2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107780038
3-[2-amino-1-(3-chlorophenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898069
1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105106557
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79443116
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
CID 22764664
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 62995717
2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine
CID 63696933

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine (CID 55020002) is 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine is NCC(Sc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine?
The InChIKey is YYPHODAXFARRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-5-3-4-10(8-11)12(9-15)17-13-6-1-2-7-16-13/h1-8,12H,9,15H2.
What are the key properties of 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine?
2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine has a molecular weight of 264.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine is sourced from PubChem (CID 55020002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).