1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene

C8H12N2O3S — CID 175558258

IUPAC1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene
SMILESCOc1cc(N(C)S(=O)O)ccc1N
InChIInChI=1S/C8H12N2O3S/c1-10(14(11)12)6-3-4-7(9)8(5-6)13-2/h3-5H,9H2,1-2H3,(H,11,12)
InChIKeyGPPPRDBEUXTLLS-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.85
Rot. Bonds3

About 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene

1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene (PubChem CID 175558258) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene.

Molecular Properties

Compound Name1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene
PubChem CID175558258
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene
SMILESCOc1cc(N(C)S(=O)O)ccc1N
InChIInChI=1S/C8H12N2O3S/c1-10(14(11)12)6-3-4-7(9)8(5-6)13-2/h3-5H,9H2,1-2H3,(H,11,12)
InChIKeyGPPPRDBEUXTLLS-UHFFFAOYSA-N
XLogP0.85
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene
CID 165130338
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-amino-3-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 89352450
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
2-chloro-1-methoxycarbonyl-4-[methyl(sulfino)amino]benzene
CID 174542427
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
4-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene?
The IUPAC name of 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene (CID 175558258) is 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene.
What is the SMILES notation for 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene?
The canonical SMILES for 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene is COc1cc(N(C)S(=O)O)ccc1N.
What is the InChIKey of 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene?
The InChIKey is GPPPRDBEUXTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(14(11)12)6-3-4-7(9)8(5-6)13-2/h3-5H,9H2,1-2H3,(H,11,12).
What are the key properties of 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene?
1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene has a molecular weight of 216.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methoxy-4-[methyl(sulfino)amino]benzene is sourced from PubChem (CID 175558258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).