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

C14H14Cl2N2S — CID 170878302

IUPAC3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
SMILESNCCCc1cccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-11-5-6-13(12(16)9-11)19-14-10(3-1-7-17)4-2-8-18-14/h2,4-6,8-9H,1,3,7,17H2
InChIKeyLYWZTWXGZULIAC-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.43
Rot. Bonds5

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

3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine (PubChem CID 170878302) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
PubChem CID170878302
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
SMILESNCCCc1cccnc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-11-5-6-13(12(16)9-11)19-14-10(3-1-7-17)4-2-8-18-14/h2,4-6,8-9H,1,3,7,17H2
InChIKeyLYWZTWXGZULIAC-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine (CID 170878302) is 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine is NCCCc1cccnc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine?
The InChIKey is LYWZTWXGZULIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c15-11-5-6-13(12(16)9-11)19-14-10(3-1-7-17)4-2-8-18-14/h2,4-6,8-9H,1,3,7,17H2.
What are the key properties of 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine?
3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine has a molecular weight of 313.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 170878302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).