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

C14H20N2O2S — CID 77065983

IUPAC5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CSC2CCCC2)cc1C(N)=NO
InChIInChI=1S/C14H20N2O2S/c1-18-13-7-6-10(8-12(13)14(15)16-17)9-19-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H2,15,16)
InChIKeySJRLXUVNERQZPK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds5

About 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 77065983) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID77065983
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CSC2CCCC2)cc1C(N)=NO
InChIInChI=1S/C14H20N2O2S/c1-18-13-7-6-10(8-12(13)14(15)16-17)9-19-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H2,15,16)
InChIKeySJRLXUVNERQZPK-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

4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65340258
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
5-(butylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066115
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 77065911
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065866
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065908
N'-hydroxy-2-methoxy-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 77065947

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 77065983) is 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1ccc(CSC2CCCC2)cc1C(N)=NO.
What is the InChIKey of 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is SJRLXUVNERQZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-13-7-6-10(8-12(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 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
5-(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 5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 77065983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).