4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

C14H20N2O2S — CID 106791816

IUPAC4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CSC2CCCC2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O2S/c1-18-13-8-10(6-7-12(13)14(15)16-17)9-19-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H2,15,16)
InChIKeyGFGKOTBDDZYMCX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds5

About 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106791816) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106791816
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CSC2CCCC2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O2S/c1-18-13-8-10(6-7-12(13)14(15)16-17)9-19-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H2,15,16)
InChIKeyGFGKOTBDDZYMCX-UHFFFAOYSA-N
XLogP2.97
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
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

5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106791859
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
4-[(3-fluorophenyl)sulfanylmethyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791844
4-[[cyclobutylmethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789379
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789636
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 106789288
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
N'-hydroxy-2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 106789335
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789769
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789360

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106791816) is 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1cc(CSC2CCCC2)ccc1/C(N)=N/O.
What is the InChIKey of 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is GFGKOTBDDZYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-13-8-10(6-7-12(13)14(15)16-17)9-19-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H2,15,16).
What are the key properties of 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 280.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).