2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol

C14H14Cl2N2OS — CID 170892468

IUPAC2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
SMILESNC(CO)Cc1cccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c15-10-3-4-13(12(16)7-10)20-14-9(2-1-5-18-14)6-11(17)8-19/h1-5,7,11,19H,6,8,17H2
InChIKeyXURKGOFIJURLMI-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.40
Rot. Bonds5

About 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol

2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol (PubChem CID 170892468) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
PubChem CID170892468
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
SMILESNC(CO)Cc1cccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c15-10-3-4-13(12(16)7-10)20-14-9(2-1-5-18-14)6-11(17)8-19/h1-5,7,11,19H,6,8,17H2
InChIKeyXURKGOFIJURLMI-UHFFFAOYSA-N
XLogP3.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
CID 170878302
1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 103694453
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
(E)-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]prop-2-enamide
CID 170876723
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
CID 114866429
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
CID 114866424
2-[4-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 114866444
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
CID 81160339
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821551
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]propan-2-amine
CID 81160448
(1R)-1-[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992849
1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol (CID 170892468) is 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol is NC(CO)Cc1cccnc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol?
The InChIKey is XURKGOFIJURLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c15-10-3-4-13(12(16)7-10)20-14-9(2-1-5-18-14)6-11(17)8-19/h1-5,7,11,19H,6,8,17H2.
What are the key properties of 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol?
2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol has a molecular weight of 329.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 170892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).