1-(3-aminophenyl)ethyl sulfite

C8H10NO3S- — CID 174384162

IUPAC1-(3-aminophenyl)ethyl sulfite
SMILESCC(OS(=O)[O-])c1cccc(N)c1
InChIInChI=1S/C8H11NO3S/c1-6(12-13(10)11)7-3-2-4-8(9)5-7/h2-6H,9H2,1H3,(H,10,11)/p-1
InChIKeyHHAVYJDXGGJWFG-UHFFFAOYSA-M
MW200.24 g/mol
LogP1.14
Rot. Bonds3

About 1-(3-aminophenyl)ethyl sulfite

1-(3-aminophenyl)ethyl sulfite (PubChem CID 174384162) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-aminophenyl)ethyl sulfite.

Molecular Properties

Compound Name1-(3-aminophenyl)ethyl sulfite
PubChem CID174384162
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name1-(3-aminophenyl)ethyl sulfite
SMILESCC(OS(=O)[O-])c1cccc(N)c1
InChIInChI=1S/C8H11NO3S/c1-6(12-13(10)11)7-3-2-4-8(9)5-7/h2-6H,9H2,1H3,(H,10,11)/p-1
InChIKeyHHAVYJDXGGJWFG-UHFFFAOYSA-M
XLogP1.14
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitrophenyl)ethyl sulfite
CID 174614635
2-(3-aminophenyl)propanoate
CID 71650577
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
CID 66275415
3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 89088484
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)ethyl sulfite?
The IUPAC name of 1-(3-aminophenyl)ethyl sulfite (CID 174384162) is 1-(3-aminophenyl)ethyl sulfite.
What is the SMILES notation for 1-(3-aminophenyl)ethyl sulfite?
The canonical SMILES for 1-(3-aminophenyl)ethyl sulfite is CC(OS(=O)[O-])c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)ethyl sulfite?
The InChIKey is HHAVYJDXGGJWFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S/c1-6(12-13(10)11)7-3-2-4-8(9)5-7/h2-6H,9H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-(3-aminophenyl)ethyl sulfite?
1-(3-aminophenyl)ethyl sulfite has a molecular weight of 200.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)ethyl sulfite is sourced from PubChem (CID 174384162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).