2-methoxy-5-propylsulfanylaniline

C10H15NOS — CID 97035009

IUPAC2-methoxy-5-propylsulfanylaniline
SMILESCCCSc1ccc(OC)c(N)c1
InChIInChI=1S/C10H15NOS/c1-3-6-13-8-4-5-10(12-2)9(11)7-8/h4-5,7H,3,6,11H2,1-2H3
InChIKeyLOGGCBQOELQRGL-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.78
Rot. Bonds4

About 2-methoxy-5-propylsulfanylaniline

2-methoxy-5-propylsulfanylaniline (PubChem CID 97035009) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-methoxy-5-propylsulfanylaniline.

Molecular Properties

Compound Name2-methoxy-5-propylsulfanylaniline
PubChem CID97035009
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-methoxy-5-propylsulfanylaniline
SMILESCCCSc1ccc(OC)c(N)c1
InChIInChI=1S/C10H15NOS/c1-3-6-13-8-4-5-10(12-2)9(11)7-8/h4-5,7H,3,6,11H2,1-2H3
InChIKeyLOGGCBQOELQRGL-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.78
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 2-methoxy-5-propylsulfanylaniline?
The IUPAC name of 2-methoxy-5-propylsulfanylaniline (CID 97035009) is 2-methoxy-5-propylsulfanylaniline.
What is the SMILES notation for 2-methoxy-5-propylsulfanylaniline?
The canonical SMILES for 2-methoxy-5-propylsulfanylaniline is CCCSc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-propylsulfanylaniline?
The InChIKey is LOGGCBQOELQRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-6-13-8-4-5-10(12-2)9(11)7-8/h4-5,7H,3,6,11H2,1-2H3.
What are the key properties of 2-methoxy-5-propylsulfanylaniline?
2-methoxy-5-propylsulfanylaniline has a molecular weight of 197.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propylsulfanylaniline is sourced from PubChem (CID 97035009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).