3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline

C10H15NOS — CID 14801186

IUPAC3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline
SMILESCOCc1c(SC)ccc(N)c1C
InChIInChI=1S/C10H15NOS/c1-7-8(6-12-2)10(13-3)5-4-9(7)11/h4-5H,6,11H2,1-3H3
InChIKeyZVSDSBIRXCOCPD-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.45
Rot. Bonds3

About 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline

3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline (PubChem CID 14801186) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline
PubChem CID14801186
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline
SMILESCOCc1c(SC)ccc(N)c1C
InChIInChI=1S/C10H15NOS/c1-7-8(6-12-2)10(13-3)5-4-9(7)11/h4-5H,6,11H2,1-3H3
InChIKeyZVSDSBIRXCOCPD-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline?
The IUPAC name of 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline (CID 14801186) is 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline.
What is the SMILES notation for 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline?
The canonical SMILES for 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline is COCc1c(SC)ccc(N)c1C.
What is the InChIKey of 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline?
The InChIKey is ZVSDSBIRXCOCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-8(6-12-2)10(13-3)5-4-9(7)11/h4-5H,6,11H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline?
3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline has a molecular weight of 197.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methyl-4-methylsulfanylaniline is sourced from PubChem (CID 14801186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).