3-[ethyl(propyl)amino]sulfanylaniline

C11H18N2S — CID 166899849

IUPAC3-[ethyl(propyl)amino]sulfanylaniline
SMILESCCCN(CC)Sc1cccc(N)c1
InChIInChI=1S/C11H18N2S/c1-3-8-13(4-2)14-11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3
InChIKeyDGPXUPZFLBGIOD-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.01
Rot. Bonds5

About 3-[ethyl(propyl)amino]sulfanylaniline

3-[ethyl(propyl)amino]sulfanylaniline (PubChem CID 166899849) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]sulfanylaniline.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]sulfanylaniline
PubChem CID166899849
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-[ethyl(propyl)amino]sulfanylaniline
SMILESCCCN(CC)Sc1cccc(N)c1
InChIInChI=1S/C11H18N2S/c1-3-8-13(4-2)14-11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3
InChIKeyDGPXUPZFLBGIOD-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]sulfanylaniline?
The IUPAC name of 3-[ethyl(propyl)amino]sulfanylaniline (CID 166899849) is 3-[ethyl(propyl)amino]sulfanylaniline.
What is the SMILES notation for 3-[ethyl(propyl)amino]sulfanylaniline?
The canonical SMILES for 3-[ethyl(propyl)amino]sulfanylaniline is CCCN(CC)Sc1cccc(N)c1.
What is the InChIKey of 3-[ethyl(propyl)amino]sulfanylaniline?
The InChIKey is DGPXUPZFLBGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-8-13(4-2)14-11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3.
What are the key properties of 3-[ethyl(propyl)amino]sulfanylaniline?
3-[ethyl(propyl)amino]sulfanylaniline has a molecular weight of 210.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]sulfanylaniline is sourced from PubChem (CID 166899849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).