6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide

C10H15N3OS — CID 64595015

IUPAC6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(SCCCOC)n1
InChIInChI=1S/C10H15N3OS/c1-14-6-3-7-15-9-5-2-4-8(13-9)10(11)12/h2,4-5H,3,6-7H2,1H3,(H3,11,12)
InChIKeyIMEOOJGGIAMBBB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.49
Rot. Bonds6

About 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide

6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide (PubChem CID 64595015) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide
PubChem CID64595015
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(SCCCOC)n1
InChIInChI=1S/C10H15N3OS/c1-14-6-3-7-15-9-5-2-4-8(13-9)10(11)12/h2,4-5H,3,6-7H2,1H3,(H3,11,12)
InChIKeyIMEOOJGGIAMBBB-UHFFFAOYSA-N
XLogP1.49
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide (CID 64595015) is 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(SCCCOC)n1.
What is the InChIKey of 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is IMEOOJGGIAMBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-6-3-7-15-9-5-2-4-8(13-9)10(11)12/h2,4-5H,3,6-7H2,1H3,(H3,11,12).
What are the key properties of 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide?
6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 64595015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).