2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine

C15H17ClN2S — CID 64631470

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
SMILESCCNC(CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN2S/c1-2-17-14(12-6-4-3-5-7-12)11-19-15-9-8-13(16)10-18-15/h3-10,14,17H,2,11H2,1H3
InChIKeyMGGCALWZCSXAGY-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.18
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine (PubChem CID 64631470) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
PubChem CID64631470
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
SMILESCCNC(CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN2S/c1-2-17-14(12-6-4-3-5-7-12)11-19-15-9-8-13(16)10-18-15/h3-10,14,17H,2,11H2,1H3
InChIKeyMGGCALWZCSXAGY-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2-ethoxyphenyl)-N-methylethanamine
CID 64629637
4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631271
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64629635
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
CID 64560762
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64629426
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol
CID 113317893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine (CID 64631470) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine is CCNC(CSc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine?
The InChIKey is MGGCALWZCSXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-2-17-14(12-6-4-3-5-7-12)11-19-15-9-8-13(16)10-18-15/h3-10,14,17H,2,11H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine has a molecular weight of 292.84 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 64631470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).