2-(sulfinoamino)ethoxybenzene

C8H11NO3S — CID 19891359

IUPAC2-(sulfinoamino)ethoxybenzene
SMILESO=S(O)NCCOc1ccccc1
InChIInChI=1S/C8H11NO3S/c10-13(11)9-6-7-12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11)
InChIKeyLKUXLFFKTGFCTJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.79
Rot. Bonds5

About 2-(sulfinoamino)ethoxybenzene

2-(sulfinoamino)ethoxybenzene (PubChem CID 19891359) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(sulfinoamino)ethoxybenzene.

Molecular Properties

Compound Name2-(sulfinoamino)ethoxybenzene
PubChem CID19891359
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-(sulfinoamino)ethoxybenzene
SMILESO=S(O)NCCOc1ccccc1
InChIInChI=1S/C8H11NO3S/c10-13(11)9-6-7-12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11)
InChIKeyLKUXLFFKTGFCTJ-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(sulfinoamino)ethoxybenzene 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

2-(2-phenoxyethylamino)acetic acid
CID 13236095
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)ethoxybenzene?
The IUPAC name of 2-(sulfinoamino)ethoxybenzene (CID 19891359) is 2-(sulfinoamino)ethoxybenzene.
What is the SMILES notation for 2-(sulfinoamino)ethoxybenzene?
The canonical SMILES for 2-(sulfinoamino)ethoxybenzene is O=S(O)NCCOc1ccccc1.
What is the InChIKey of 2-(sulfinoamino)ethoxybenzene?
The InChIKey is LKUXLFFKTGFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-13(11)9-6-7-12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11).
What are the key properties of 2-(sulfinoamino)ethoxybenzene?
2-(sulfinoamino)ethoxybenzene has a molecular weight of 201.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)ethoxybenzene is sourced from PubChem (CID 19891359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).