3-(2-methoxyphenyl)sulfanylpentanimidamide

C12H18N2OS — CID 61291683

IUPAC3-(2-methoxyphenyl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1ccccc1OC
InChIInChI=1S/C12H18N2OS/c1-3-9(8-12(13)14)16-11-7-5-4-6-10(11)15-2/h4-7,9H,3,8H2,1-2H3,(H3,13,14)
InChIKeyUZSVLSKPZHPSJX-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.89
Rot. Bonds6

About 3-(2-methoxyphenyl)sulfanylpentanimidamide

3-(2-methoxyphenyl)sulfanylpentanimidamide (PubChem CID 61291683) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfanylpentanimidamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfanylpentanimidamide
PubChem CID61291683
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(2-methoxyphenyl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1ccccc1OC
InChIInChI=1S/C12H18N2OS/c1-3-9(8-12(13)14)16-11-7-5-4-6-10(11)15-2/h4-7,9H,3,8H2,1-2H3,(H3,13,14)
InChIKeyUZSVLSKPZHPSJX-UHFFFAOYSA-N
XLogP2.89
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
3-(2,5-dimethylphenyl)sulfanylpentanimidamide
CID 43175421
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
3-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 104792308
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
3-phenylsulfanylbutanimidamide
CID 60915236
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfanylpentanimidamide?
The IUPAC name of 3-(2-methoxyphenyl)sulfanylpentanimidamide (CID 61291683) is 3-(2-methoxyphenyl)sulfanylpentanimidamide.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfanylpentanimidamide?
The canonical SMILES for 3-(2-methoxyphenyl)sulfanylpentanimidamide is [H]/N=C(\N)CC(CC)Sc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)sulfanylpentanimidamide?
The InChIKey is UZSVLSKPZHPSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-9(8-12(13)14)16-11-7-5-4-6-10(11)15-2/h4-7,9H,3,8H2,1-2H3,(H3,13,14).
What are the key properties of 3-(2-methoxyphenyl)sulfanylpentanimidamide?
3-(2-methoxyphenyl)sulfanylpentanimidamide has a molecular weight of 238.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfanylpentanimidamide is sourced from PubChem (CID 61291683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).