1-methoxy-4-[methyl(sulfinato)amino]benzene

C8H10NO3S- — CID 57253510

IUPAC1-methoxy-4-[methyl(sulfinato)amino]benzene
SMILESCOc1ccc(N(C)S(=O)[O-])cc1
InChIInChI=1S/C8H11NO3S/c1-9(13(10)11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)/p-1
InChIKeyNNQOQGQEVRJFRQ-UHFFFAOYSA-M
MW200.24 g/mol
LogP0.93
Rot. Bonds3

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

1-methoxy-4-[methyl(sulfinato)amino]benzene (PubChem CID 57253510) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methoxy-4-[methyl(sulfinato)amino]benzene.

Molecular Properties

Compound Name1-methoxy-4-[methyl(sulfinato)amino]benzene
PubChem CID57253510
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name1-methoxy-4-[methyl(sulfinato)amino]benzene
SMILESCOc1ccc(N(C)S(=O)[O-])cc1
InChIInChI=1S/C8H11NO3S/c1-9(13(10)11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)/p-1
InChIKeyNNQOQGQEVRJFRQ-UHFFFAOYSA-M
XLogP0.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxycarbonyl-4-[methyl(sulfinato)amino]benzene
CID 174542408
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
sodium (4-methoxyphenyl) sulfite
CID 175083766
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-(4-carboxy-N-sulfinatoanilino)-4-(4-methoxyphenyl)benzene
CID 91802821
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
N-ethenyl-4-methoxy-N-methylaniline
CID 142070059
disodium;anisole;sulfite
CID 158776652
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline
CID 138974753
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[methyl(sulfinato)amino]benzene?
The IUPAC name of 1-methoxy-4-[methyl(sulfinato)amino]benzene (CID 57253510) is 1-methoxy-4-[methyl(sulfinato)amino]benzene.
What is the SMILES notation for 1-methoxy-4-[methyl(sulfinato)amino]benzene?
The canonical SMILES for 1-methoxy-4-[methyl(sulfinato)amino]benzene is COc1ccc(N(C)S(=O)[O-])cc1.
What is the InChIKey of 1-methoxy-4-[methyl(sulfinato)amino]benzene?
The InChIKey is NNQOQGQEVRJFRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S/c1-9(13(10)11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-methoxy-4-[methyl(sulfinato)amino]benzene?
1-methoxy-4-[methyl(sulfinato)amino]benzene has a molecular weight of 200.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[methyl(sulfinato)amino]benzene is sourced from PubChem (CID 57253510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).