2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide

C14H22N2OS2 — CID 107749725

IUPAC2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide
SMILESCCSc1cccc(SCC(C)CC)c1/C(N)=N/O
InChIInChI=1S/C14H22N2OS2/c1-4-10(3)9-19-12-8-6-7-11(18-5-2)13(12)14(15)16-17/h6-8,10,17H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeyGMPLUXHEOUBNPE-UHFFFAOYSA-N
MW298.48 g/mol
LogP4.03
Rot. Bonds7

About 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide

2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide (PubChem CID 107749725) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide
PubChem CID107749725
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC Name2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide
SMILESCCSc1cccc(SCC(C)CC)c1/C(N)=N/O
InChIInChI=1S/C14H22N2OS2/c1-4-10(3)9-19-12-8-6-7-11(18-5-2)13(12)14(15)16-17/h6-8,10,17H,4-5,9H2,1-3H3,(H2,15,16)
InChIKeyGMPLUXHEOUBNPE-UHFFFAOYSA-N
XLogP4.03
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 113385918
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
CID 113385916
2-ethylsulfanyl-N'-hydroxy-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552126
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056
N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide
CID 107749761
2-[ethyl(2-methylbutyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519700
methyl 2-amino-3-(2-methylbutylsulfanyl)benzoate
CID 107752994
2-fluoro-N'-hydroxy-6-propan-2-ylsulfanylbenzenecarboximidamide
CID 79522692

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide (CID 107749725) is 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide is CCSc1cccc(SCC(C)CC)c1/C(N)=N/O.
What is the InChIKey of 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide?
The InChIKey is GMPLUXHEOUBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-4-10(3)9-19-12-8-6-7-11(18-5-2)13(12)14(15)16-17/h6-8,10,17H,4-5,9H2,1-3H3,(H2,15,16).
What are the key properties of 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide?
2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide has a molecular weight of 298.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 107749725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).