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

C16H20ClN3S — CID 66140175

IUPAC3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-19-13(10-12-6-5-9-20-16(12)18)11-21-15-8-4-3-7-14(15)17/h3-9,13,19H,2,10-11H2,1H3,(H2,18,20)
InChIKeyTXXRSZKMLKFDRN-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.63
Rot. Bonds7

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

3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine (PubChem CID 66140175) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
PubChem CID66140175
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(CSc1ccccc1Cl)Cc1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-19-13(10-12-6-5-9-20-16(12)18)11-21-15-8-4-3-7-14(15)17/h3-9,13,19H,2,10-11H2,1H3,(H2,18,20)
InChIKeyTXXRSZKMLKFDRN-UHFFFAOYSA-N
XLogP3.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
CID 105237744
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
3-(2-hydrazinyl-3-propan-2-ylsulfanylpropyl)pyridin-2-amine
CID 105226241
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine (CID 66140175) is 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine is CCNC(CSc1ccccc1Cl)Cc1cccnc1N.
What is the InChIKey of 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
The InChIKey is TXXRSZKMLKFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-19-13(10-12-6-5-9-20-16(12)18)11-21-15-8-4-3-7-14(15)17/h3-9,13,19H,2,10-11H2,1H3,(H2,18,20).
What are the key properties of 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine?
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine has a molecular weight of 321.88 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 66140175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).