5-(dimethylaminosulfanyl)pyridin-2-amine

C7H11N3S — CID 178149663

IUPAC5-(dimethylaminosulfanyl)pyridin-2-amine
SMILESCN(C)Sc1ccc(N)nc1
InChIInChI=1S/C7H11N3S/c1-10(2)11-6-3-4-7(8)9-5-6/h3-5H,1-2H3,(H2,8,9)
InChIKeyNPSXHUMWRKIQDJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.23
Rot. Bonds2

About 5-(dimethylaminosulfanyl)pyridin-2-amine

5-(dimethylaminosulfanyl)pyridin-2-amine (PubChem CID 178149663) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(dimethylaminosulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(dimethylaminosulfanyl)pyridin-2-amine
PubChem CID178149663
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-(dimethylaminosulfanyl)pyridin-2-amine
SMILESCN(C)Sc1ccc(N)nc1
InChIInChI=1S/C7H11N3S/c1-10(2)11-6-3-4-7(8)9-5-6/h3-5H,1-2H3,(H2,8,9)
InChIKeyNPSXHUMWRKIQDJ-UHFFFAOYSA-N
XLogP1.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylaminosulfanyl)pyridin-2-amine?
The IUPAC name of 5-(dimethylaminosulfanyl)pyridin-2-amine (CID 178149663) is 5-(dimethylaminosulfanyl)pyridin-2-amine.
What is the SMILES notation for 5-(dimethylaminosulfanyl)pyridin-2-amine?
The canonical SMILES for 5-(dimethylaminosulfanyl)pyridin-2-amine is CN(C)Sc1ccc(N)nc1.
What is the InChIKey of 5-(dimethylaminosulfanyl)pyridin-2-amine?
The InChIKey is NPSXHUMWRKIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10(2)11-6-3-4-7(8)9-5-6/h3-5H,1-2H3,(H2,8,9).
What are the key properties of 5-(dimethylaminosulfanyl)pyridin-2-amine?
5-(dimethylaminosulfanyl)pyridin-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylaminosulfanyl)pyridin-2-amine is sourced from PubChem (CID 178149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).