5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine

C14H18N4S2 — CID 25150068

IUPAC5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(SSc2ccc(N(C)C)nc2)cn1
InChIInChI=1S/C14H18N4S2/c1-17(2)13-7-5-11(9-15-13)19-20-12-6-8-14(16-10-12)18(3)4/h5-10H,1-4H3
InChIKeyIWJCXVHEERQECE-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.41
Rot. Bonds5

About 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine

5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine (PubChem CID 25150068) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine
PubChem CID25150068
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(SSc2ccc(N(C)C)nc2)cn1
InChIInChI=1S/C14H18N4S2/c1-17(2)13-7-5-11(9-15-13)19-20-12-6-8-14(16-10-12)18(3)4/h5-10H,1-4H3
InChIKeyIWJCXVHEERQECE-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine (CID 25150068) is 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(SSc2ccc(N(C)C)nc2)cn1.
What is the InChIKey of 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is IWJCXVHEERQECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-17(2)13-7-5-11(9-15-13)19-20-12-6-8-14(16-10-12)18(3)4/h5-10H,1-4H3.
What are the key properties of 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine?
5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 306.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(dimethylamino)-3-pyridinyl]disulfanyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 25150068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).