2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide

C10H14N2O3S — CID 79682606

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1SCC(O)CO
InChIInChI=1S/C10H14N2O3S/c11-10(12-15)8-3-1-2-4-9(8)16-6-7(14)5-13/h1-4,7,13-15H,5-6H2,(H2,11,12)
InChIKeyQDUWMBXKQHKSDU-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.23
Rot. Bonds5

About 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide

2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 79682606) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
PubChem CID79682606
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1SCC(O)CO
InChIInChI=1S/C10H14N2O3S/c11-10(12-15)8-3-1-2-4-9(8)16-6-7(14)5-13/h1-4,7,13-15H,5-6H2,(H2,11,12)
InChIKeyQDUWMBXKQHKSDU-UHFFFAOYSA-N
XLogP0.23
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 79682498
N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 77112944
4-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
CID 79683151
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883
3-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-2-phenylpropanimidamide
CID 79682395
2-(2,3-dihydroxypropylsulfanyl)benzenesulfonamide
CID 79682078
3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-2-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 43200069
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide (CID 79682606) is 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1SCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QDUWMBXKQHKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-10(12-15)8-3-1-2-4-9(8)16-6-7(14)5-13/h1-4,7,13-15H,5-6H2,(H2,11,12).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide?
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 242.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79682606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).