4-pentylsulfanylpyridin-2-amine

C10H16N2S — CID 107764997

IUPAC4-pentylsulfanylpyridin-2-amine
SMILESCCCCCSc1ccnc(N)c1
InChIInChI=1S/C10H16N2S/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h5-6,8H,2-4,7H2,1H3,(H2,11,12)
InChIKeyLRTGUEUDYHCZIU-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.95
Rot. Bonds5

About 4-pentylsulfanylpyridin-2-amine

4-pentylsulfanylpyridin-2-amine (PubChem CID 107764997) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-pentylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name4-pentylsulfanylpyridin-2-amine
PubChem CID107764997
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-pentylsulfanylpyridin-2-amine
SMILESCCCCCSc1ccnc(N)c1
InChIInChI=1S/C10H16N2S/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h5-6,8H,2-4,7H2,1H3,(H2,11,12)
InChIKeyLRTGUEUDYHCZIU-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentylsulfanylpyridin-2-amine?
The IUPAC name of 4-pentylsulfanylpyridin-2-amine (CID 107764997) is 4-pentylsulfanylpyridin-2-amine.
What is the SMILES notation for 4-pentylsulfanylpyridin-2-amine?
The canonical SMILES for 4-pentylsulfanylpyridin-2-amine is CCCCCSc1ccnc(N)c1.
What is the InChIKey of 4-pentylsulfanylpyridin-2-amine?
The InChIKey is LRTGUEUDYHCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h5-6,8H,2-4,7H2,1H3,(H2,11,12).
What are the key properties of 4-pentylsulfanylpyridin-2-amine?
4-pentylsulfanylpyridin-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylsulfanylpyridin-2-amine is sourced from PubChem (CID 107764997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).