3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine

C15H18ClN3S — CID 66140580

IUPAC3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(CSc1ccccc1Cl)c1cccnc1N
InChIInChI=1S/C15H18ClN3S/c1-2-18-13(11-6-5-9-19-15(11)17)10-20-14-8-4-3-7-12(14)16/h3-9,13,18H,2,10H2,1H3,(H2,17,19)
InChIKeyZKSKSQUZSWOISJ-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.76
Rot. Bonds6

About 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine

3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine (PubChem CID 66140580) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
PubChem CID66140580
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(CSc1ccccc1Cl)c1cccnc1N
InChIInChI=1S/C15H18ClN3S/c1-2-18-13(11-6-5-9-19-15(11)17)10-20-14-8-4-3-7-12(14)16/h3-9,13,18H,2,10H2,1H3,(H2,17,19)
InChIKeyZKSKSQUZSWOISJ-UHFFFAOYSA-N
XLogP3.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
CID 105237744
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
CID 107560401
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66065811
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine (CID 66140580) is 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine is CCNC(CSc1ccccc1Cl)c1cccnc1N.
What is the InChIKey of 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The InChIKey is ZKSKSQUZSWOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-2-18-13(11-6-5-9-19-15(11)17)10-20-14-8-4-3-7-12(14)16/h3-9,13,18H,2,10H2,1H3,(H2,17,19).
What are the key properties of 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine has a molecular weight of 307.85 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 66140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).