5-(2-aminoethyl)-2-methoxybenzenesulfinamide

C9H14N2O2S — CID 142914448

IUPAC5-(2-aminoethyl)-2-methoxybenzenesulfinamide
SMILESCOc1ccc(CCN)cc1S(N)=O
InChIInChI=1S/C9H14N2O2S/c1-13-8-3-2-7(4-5-10)6-9(8)14(11)12/h2-3,6H,4-5,10-11H2,1H3
InChIKeyOUQFXJSZVZVTSQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.18
Rot. Bonds4

About 5-(2-aminoethyl)-2-methoxybenzenesulfinamide

5-(2-aminoethyl)-2-methoxybenzenesulfinamide (PubChem CID 142914448) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-methoxybenzenesulfinamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-methoxybenzenesulfinamide
PubChem CID142914448
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-(2-aminoethyl)-2-methoxybenzenesulfinamide
SMILESCOc1ccc(CCN)cc1S(N)=O
InChIInChI=1S/C9H14N2O2S/c1-13-8-3-2-7(4-5-10)6-9(8)14(11)12/h2-3,6H,4-5,10-11H2,1H3
InChIKeyOUQFXJSZVZVTSQ-UHFFFAOYSA-N
XLogP0.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-methoxybenzenesulfinamide?
The IUPAC name of 5-(2-aminoethyl)-2-methoxybenzenesulfinamide (CID 142914448) is 5-(2-aminoethyl)-2-methoxybenzenesulfinamide.
What is the SMILES notation for 5-(2-aminoethyl)-2-methoxybenzenesulfinamide?
The canonical SMILES for 5-(2-aminoethyl)-2-methoxybenzenesulfinamide is COc1ccc(CCN)cc1S(N)=O.
What is the InChIKey of 5-(2-aminoethyl)-2-methoxybenzenesulfinamide?
The InChIKey is OUQFXJSZVZVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-8-3-2-7(4-5-10)6-9(8)14(11)12/h2-3,6H,4-5,10-11H2,1H3.
What are the key properties of 5-(2-aminoethyl)-2-methoxybenzenesulfinamide?
5-(2-aminoethyl)-2-methoxybenzenesulfinamide has a molecular weight of 214.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-methoxybenzenesulfinamide is sourced from PubChem (CID 142914448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).