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

C10H15N3OS — CID 63856837

IUPAC2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1SCCCOC
InChIInChI=1S/C10H15N3OS/c1-14-6-3-7-15-10-8(9(11)12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H3,11,12)
InChIKeyZYHALJZIVJHYCS-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.49
Rot. Bonds6

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

2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide (PubChem CID 63856837) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
PubChem CID63856837
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1SCCCOC
InChIInChI=1S/C10H15N3OS/c1-14-6-3-7-15-10-8(9(11)12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H3,11,12)
InChIKeyZYHALJZIVJHYCS-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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Related Compounds

2-[(3-carbamimidoyl-2-pyridinyl)sulfanyl]acetic acid
CID 82240600
5-bromo-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
CID 114893666
6-(3-methoxypropylsulfanyl)pyridine-2-carboximidamide
CID 64595015
2-[2-(3-methoxypropoxy)ethylsulfanyl]pyridine-3-carboxylic acid
CID 103177403
2-hexoxypyridine-3-carboximidamide
CID 29002899
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340065
2-fluoro-3-(3-methoxypropylsulfanylmethyl)benzenecarboximidamide
CID 107118507
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
CID 60722786
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603201

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide (CID 63856837) is 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1SCCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is ZYHALJZIVJHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-6-3-7-15-10-8(9(11)12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3,(H3,11,12).
What are the key properties of 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide?
2-(3-methoxypropylsulfanyl)pyridine-3-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 2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 63856837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).