3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine

C16H20ClN3S — CID 66144184

IUPAC3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cnccc1N
InChIInChI=1S/C16H20ClN3S/c1-2-20-14(9-12-10-19-8-7-16(12)18)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,20H,2,9,11H2,1H3,(H2,18,19)
InChIKeyDKHDRYVFTLLOLL-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.63
Rot. Bonds7

About 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine

3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine (PubChem CID 66144184) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
PubChem CID66144184
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cnccc1N
InChIInChI=1S/C16H20ClN3S/c1-2-20-14(9-12-10-19-8-7-16(12)18)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,20H,2,9,11H2,1H3,(H2,18,19)
InChIKeyDKHDRYVFTLLOLL-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

1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291301
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 107539227
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine?
The IUPAC name of 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine (CID 66144184) is 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine?
The canonical SMILES for 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine is CCNC(CSc1ccc(Cl)cc1)Cc1cnccc1N.
What is the InChIKey of 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine?
The InChIKey is DKHDRYVFTLLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-20-14(9-12-10-19-8-7-16(12)18)11-21-15-5-3-13(17)4-6-15/h3-8,10,14,20H,2,9,11H2,1H3,(H2,18,19).
What are the key properties of 3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine?
3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-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-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine is sourced from PubChem (CID 66144184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).