4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline

C16H28N2OS — CID 144540394

IUPAC4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1NC
InChIInChI=1S/C16H28N2OS/c1-8-20(7,16(3,4)5)19-13-9-10-15(18-6)14(11-13)12(2)17/h9-11,17-18H,8H2,1-7H3/b17-12+
InChIKeyHGVSNGMKHOTETE-SFQUDFHCSA-N
MW296.48 g/mol
LogP4.66
Rot. Bonds5

About 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline

4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline (PubChem CID 144540394) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline.

Molecular Properties

Compound Name4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
PubChem CID144540394
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1NC
InChIInChI=1S/C16H28N2OS/c1-8-20(7,16(3,4)5)19-13-9-10-15(18-6)14(11-13)12(2)17/h9-11,17-18H,8H2,1-7H3/b17-12+
InChIKeyHGVSNGMKHOTETE-SFQUDFHCSA-N
XLogP4.66
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoylaniline
CID 144540326
3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
2-(4-chloro-2-ethanimidoylanilino)ethanol
CID 144653845
4-[2-(diethylamino)ethoxy]-N-methyl-2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]aniline
CID 143411810
2-(2-ethanimidoyl-5-methoxyanilino)acetamide
CID 144505829
5-tert-butyl-N-methyl-2-propanimidoylaniline
CID 123530487
1-(5-tert-butyl-2-methylphenyl)ethanimine
CID 175634188

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline?
The IUPAC name of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline (CID 144540394) is 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline.
What is the SMILES notation for 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline?
The canonical SMILES for 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline is [H]/N=C(\C)c1cc(OS(C)(CC)C(C)(C)C)ccc1NC.
What is the InChIKey of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline?
The InChIKey is HGVSNGMKHOTETE-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-8-20(7,16(3,4)5)19-13-9-10-15(18-6)14(11-13)12(2)17/h9-11,17-18H,8H2,1-7H3/b17-12+.
What are the key properties of 4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline?
4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline has a molecular weight of 296.48 g/mol, XLogP of 4.66, 5 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-ethanimidoyl-N-methylaniline is sourced from PubChem (CID 144540394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).