6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide

C15H23ClN2S — CID 106712864

IUPAC6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCSCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2S/c1-15(2,14(17)18)9-5-6-10-19-11-12-7-3-4-8-13(12)16/h3-4,7-8H,5-6,9-11H2,1-2H3,(H3,17,18)
InChIKeyWQEXYAWPLZHJLB-UHFFFAOYSA-N
MW298.88 g/mol
LogP4.71
Rot. Bonds8

About 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide

6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide (PubChem CID 106712864) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide
PubChem CID106712864
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCSCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2S/c1-15(2,14(17)18)9-5-6-10-19-11-12-7-3-4-8-13(12)16/h3-4,7-8H,5-6,9-11H2,1-2H3,(H3,17,18)
InChIKeyWQEXYAWPLZHJLB-UHFFFAOYSA-N
XLogP4.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
ethyl 5-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 103289693
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 103289736
5-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylpentanenitrile
CID 103289485
6-(3-bromophenyl)sulfanyl-2,2-dimethylhexanimidamide
CID 106712830
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
CID 103289753
3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
CID 103288542
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide (CID 106712864) is 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCSCc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide?
The InChIKey is WQEXYAWPLZHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-15(2,14(17)18)9-5-6-10-19-11-12-7-3-4-8-13(12)16/h3-4,7-8H,5-6,9-11H2,1-2H3,(H3,17,18).
What are the key properties of 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide?
6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide has a molecular weight of 298.88 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).