1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene

C10H14NO4S- — CID 57267847

IUPAC1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene
SMILESCOc1cc(CCO)c(C)cc1NS(=O)[O-]
InChIInChI=1S/C10H15NO4S/c1-7-5-9(11-16(13)14)10(15-2)6-8(7)3-4-12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)/p-1
InChIKeyMILXMUAQSRPSNI-UHFFFAOYSA-M
MW244.29 g/mol
LogP0.74
Rot. Bonds5

About 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene

1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene (PubChem CID 57267847) has the molecular formula C10H14NO4S- and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene
PubChem CID57267847
Molecular FormulaC10H14NO4S-
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene
SMILESCOc1cc(CCO)c(C)cc1NS(=O)[O-]
InChIInChI=1S/C10H15NO4S/c1-7-5-9(11-16(13)14)10(15-2)6-8(7)3-4-12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)/p-1
InChIKeyMILXMUAQSRPSNI-UHFFFAOYSA-M
XLogP0.74
TPSA81.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide
CID 144842901
methyl 2-amino-4-(4,5-dimethoxy-2-methylphenyl)butanoate
CID 116851497
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
CID 67469173
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene?
The IUPAC name of 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene (CID 57267847) is 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene?
The canonical SMILES for 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene is COc1cc(CCO)c(C)cc1NS(=O)[O-].
What is the InChIKey of 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene?
The InChIKey is MILXMUAQSRPSNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15NO4S/c1-7-5-9(11-16(13)14)10(15-2)6-8(7)3-4-12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene?
1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene has a molecular weight of 244.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene is sourced from PubChem (CID 57267847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).