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

C10H15NO4S — CID 165130338

IUPAC1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene
SMILESCCOc1ccc(N(C)S(=O)O)cc1OC
InChIInChI=1S/C10H15NO4S/c1-4-15-9-6-5-8(7-10(9)14-3)11(2)16(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyBDXJCSBTOGRKCE-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.67
Rot. Bonds5

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

1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene (PubChem CID 165130338) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene.

Molecular Properties

Compound Name1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene
PubChem CID165130338
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene
SMILESCCOc1ccc(N(C)S(=O)O)cc1OC
InChIInChI=1S/C10H15NO4S/c1-4-15-9-6-5-8(7-10(9)14-3)11(2)16(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyBDXJCSBTOGRKCE-UHFFFAOYSA-N
XLogP1.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene?
The IUPAC name of 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene (CID 165130338) is 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene.
What is the SMILES notation for 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene?
The canonical SMILES for 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene is CCOc1ccc(N(C)S(=O)O)cc1OC.
What is the InChIKey of 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene?
The InChIKey is BDXJCSBTOGRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-4-15-9-6-5-8(7-10(9)14-3)11(2)16(12)13/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene?
1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene has a molecular weight of 245.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methoxy-4-[methyl(sulfino)amino]benzene is sourced from PubChem (CID 165130338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).