1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine

C14H14Cl2N2S — CID 83123746

IUPAC1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H14Cl2N2S/c1-9(17-2)14-6-4-11(8-18-14)19-10-3-5-12(15)13(16)7-10/h3-9,17H,1-2H3
InChIKeyDVFYCFGXFQUXAB-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.82
Rot. Bonds4

About 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine

1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine (PubChem CID 83123746) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
PubChem CID83123746
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Sc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H14Cl2N2S/c1-9(17-2)14-6-4-11(8-18-14)19-10-3-5-12(15)13(16)7-10/h3-9,17H,1-2H3
InChIKeyDVFYCFGXFQUXAB-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4,5-Trichlorophenyl)thio]-3-pyridinamine
CID 901289
2-[(3-Chlorophenyl)sulfanyl]-3-pyridinylamine
CID 901296
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 1085916
2-(3,5-Dichlorophenyl)sulfanylpyridin-3-amine
CID 901291
2-(4-Chlorophenyl)sulfanylpyridin-3-amine
CID 901294
2-(4-(3,4-Dichlorophenylthio)pyridin-2-yl)pyridine
CID 44410516
2-(((3,4-Dichlorophenyl)thio)methyl)pyridine, hydrochloride
CID 12760220
2-(((4-Chlorophenyl)thio)methyl)pyridine, hydrochloride
CID 12953288
6-[(4-Chlorophenyl)sulfanyl]-3-pyridinylamine
CID 2800127
Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate
CID 215018
2-[(3-Chlorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 13058694
2-(3,4-Dichlorophenyl)sulfanyl-6-pyridin-2-ylpyridine
CID 44410512

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine (CID 83123746) is 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(Sc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
The InChIKey is DVFYCFGXFQUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-9(17-2)14-6-4-11(8-18-14)19-10-3-5-12(15)13(16)7-10/h3-9,17H,1-2H3.
What are the key properties of 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine?
1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine has a molecular weight of 313.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83123746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).