4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline

C15H26N2OS — CID 144540326

IUPAC4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline
SMILES[H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2OS/c1-7-19(6,15(3,4)5)18-12-8-9-14(17)13(10-12)11(2)16/h8-10,16H,7,17H2,1-6H3/b16-11+
InChIKeyQYWRNGDPPUOMTD-LFIBNONCSA-N
MW282.45 g/mol
LogP4.20
Rot. Bonds4

About 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline

4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline (PubChem CID 144540326) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline.

Molecular Properties

Compound Name4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline
PubChem CID144540326
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline
SMILES[H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1N
InChIInChI=1S/C15H26N2OS/c1-7-19(6,15(3,4)5)18-12-8-9-14(17)13(10-12)11(2)16/h8-10,16H,7,17H2,1-6H3/b16-11+
InChIKeyQYWRNGDPPUOMTD-LFIBNONCSA-N
XLogP4.20
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
CID 144540394
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
2-ethanimidoyl-4-[methoxy(phenyl)methyl]aniline
CID 134566967
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049
1-(5-tert-butyl-2-methylphenyl)ethanimine
CID 175634188
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
CID 176566491
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
(4-ethanimidoyl-3-ethylphenyl)methanamine
CID 144882906
2-ethanimidoyl-4-[4-(3-phenylpropoxy)-2-pyridinyl]aniline
CID 144762807
8-(4-amino-3-ethanimidoylphenoxy)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851165

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline?
The IUPAC name of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline (CID 144540326) is 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline.
What is the SMILES notation for 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline?
The canonical SMILES for 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline is [H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1N.
What is the InChIKey of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline?
The InChIKey is QYWRNGDPPUOMTD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-7-19(6,15(3,4)5)18-12-8-9-14(17)13(10-12)11(2)16/h8-10,16H,7,17H2,1-6H3/b16-11+.
What are the key properties of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline?
4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline has a molecular weight of 282.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline is sourced from PubChem (CID 144540326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).