N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide

C10H14N2O2S — CID 77112944

IUPACN'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1SCCCO
InChIInChI=1S/C10H14N2O2S/c11-10(12-14)8-4-1-2-5-9(8)15-7-3-6-13/h1-2,4-5,13-14H,3,6-7H2,(H2,11,12)
InChIKeyDRMDMVRBBUIZNZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.26
Rot. Bonds5

About N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide

N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide (PubChem CID 77112944) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
PubChem CID77112944
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1SCCCO
InChIInChI=1S/C10H14N2O2S/c11-10(12-14)8-4-1-2-5-9(8)15-7-3-6-13/h1-2,4-5,13-14H,3,6-7H2,(H2,11,12)
InChIKeyDRMDMVRBBUIZNZ-UHFFFAOYSA-N
XLogP1.26
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
CID 79682606
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
2-amino-3-(3-hydroxypropylsulfanyl)benzamide
CID 115547680
N'-hydroxy-4-(3-hydroxypropylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 77112989
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-butylsulfanyl-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107931068
2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 113385918
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
3-[2-(1-aminopropyl)phenyl]sulfanylpropan-1-ol
CID 112678713
N',2-dihydroxybenzenecarboximidamide
CID 4227476
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide (CID 77112944) is N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide is NC(=NO)c1ccccc1SCCCO.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide?
The InChIKey is DRMDMVRBBUIZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-10(12-14)8-4-1-2-5-9(8)15-7-3-6-13/h1-2,4-5,13-14H,3,6-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide?
N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide has a molecular weight of 226.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 77112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).