3-(4-methoxyphenyl)sulfanylbutanimidamide

C11H16N2OS — CID 60913001

IUPAC3-(4-methoxyphenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccc(OC)cc1
InChIInChI=1S/C11H16N2OS/c1-8(7-11(12)13)15-10-5-3-9(14-2)4-6-10/h3-6,8H,7H2,1-2H3,(H3,12,13)
InChIKeyZQGPXBKEBHINOO-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.50
Rot. Bonds5

About 3-(4-methoxyphenyl)sulfanylbutanimidamide

3-(4-methoxyphenyl)sulfanylbutanimidamide (PubChem CID 60913001) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylbutanimidamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylbutanimidamide
PubChem CID60913001
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-(4-methoxyphenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccc(OC)cc1
InChIInChI=1S/C11H16N2OS/c1-8(7-11(12)13)15-10-5-3-9(14-2)4-6-10/h3-6,8H,7H2,1-2H3,(H3,12,13)
InChIKeyZQGPXBKEBHINOO-UHFFFAOYSA-N
XLogP2.50
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.50
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-phenylsulfanylbutanimidamide
CID 60915236
3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
3-(2,5-dichlorophenyl)sulfanylbutanimidamide
CID 60912657
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
3-benzylsulfanylbutanimidamide
CID 60915407
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanylbutanimidamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylbutanimidamide (CID 60913001) is 3-(4-methoxyphenyl)sulfanylbutanimidamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylbutanimidamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylbutanimidamide is [H]/N=C(\N)CC(C)Sc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylbutanimidamide?
The InChIKey is ZQGPXBKEBHINOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(7-11(12)13)15-10-5-3-9(14-2)4-6-10/h3-6,8H,7H2,1-2H3,(H3,12,13).
What are the key properties of 3-(4-methoxyphenyl)sulfanylbutanimidamide?
3-(4-methoxyphenyl)sulfanylbutanimidamide has a molecular weight of 224.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylbutanimidamide is sourced from PubChem (CID 60913001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).