[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine

C10H16N2OS — CID 115490313

IUPAC[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
SMILESCOCCCSc1ccc(CN)nc1
InChIInChI=1S/C10H16N2OS/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7,11H2,1H3
InChIKeyPAMVMLGQURYOON-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.67
Rot. Bonds6

About [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine

[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine (PubChem CID 115490313) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
PubChem CID115490313
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
SMILESCOCCCSc1ccc(CN)nc1
InChIInChI=1S/C10H16N2OS/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7,11H2,1H3
InChIKeyPAMVMLGQURYOON-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine (CID 115490313) is [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine is COCCCSc1ccc(CN)nc1.
What is the InChIKey of [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine?
The InChIKey is PAMVMLGQURYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7,11H2,1H3.
What are the key properties of [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine?
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 115490313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).