2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H20N2OS — CID 77070997

IUPAC2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1ccc(SCC2(CC(N)=NO)CC2)c(C)c1
InChIInChI=1S/C14H20N2OS/c1-10-3-4-12(11(2)7-10)18-9-14(5-6-14)8-13(15)16-17/h3-4,7,17H,5-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyHYBGEHFTISZGSZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070997) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070997
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1ccc(SCC2(CC(N)=NO)CC2)c(C)c1
InChIInChI=1S/C14H20N2OS/c1-10-3-4-12(11(2)7-10)18-9-14(5-6-14)8-13(15)16-17/h3-4,7,17H,5-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyHYBGEHFTISZGSZ-UHFFFAOYSA-N
XLogP3.31
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.31
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-[(3-methylphenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
CID 77070796
N'-hydroxy-2-[1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070820
N'-hydroxy-2-[1-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81355976
2-[1-[(3-chlorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071053
2-[1-[(2,6-dimethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070554
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686
N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
2-[1-[(3-bromo-5-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107584109
3-(2,4-dimethylphenyl)sulfanyl-N-methylpropan-1-amine
CID 61385958
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071605

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070997) is 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide is Cc1ccc(SCC2(CC(N)=NO)CC2)c(C)c1.
What is the InChIKey of 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is HYBGEHFTISZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-3-4-12(11(2)7-10)18-9-14(5-6-14)8-13(15)16-17/h3-4,7,17H,5-6,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 264.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethylphenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).