3-ethyl-N-propan-2-ylsulfanylaniline

C11H17NS — CID 166883017

IUPAC3-ethyl-N-propan-2-ylsulfanylaniline
SMILESCCc1cccc(NSC(C)C)c1
InChIInChI=1S/C11H17NS/c1-4-10-6-5-7-11(8-10)12-13-9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyGEKTVOJSPDBHRT-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.72
Rot. Bonds4

About 3-ethyl-N-propan-2-ylsulfanylaniline

3-ethyl-N-propan-2-ylsulfanylaniline (PubChem CID 166883017) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-ethyl-N-propan-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-ethyl-N-propan-2-ylsulfanylaniline
PubChem CID166883017
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-ethyl-N-propan-2-ylsulfanylaniline
SMILESCCc1cccc(NSC(C)C)c1
InChIInChI=1S/C11H17NS/c1-4-10-6-5-7-11(8-10)12-13-9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyGEKTVOJSPDBHRT-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-propan-2-ylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylanilino) thiohypofluorite
CID 175524944
1-(3-ethylanilino)ethanol
CID 174601913
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
3-ethyl-N-pentan-2-ylaniline
CID 43102191
CID 58064173
CID 58064173
N'-(3-ethylphenyl)methanediamine
CID 89312870
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
CID 145394472
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propan-2-ylsulfanylaniline?
The IUPAC name of 3-ethyl-N-propan-2-ylsulfanylaniline (CID 166883017) is 3-ethyl-N-propan-2-ylsulfanylaniline.
What is the SMILES notation for 3-ethyl-N-propan-2-ylsulfanylaniline?
The canonical SMILES for 3-ethyl-N-propan-2-ylsulfanylaniline is CCc1cccc(NSC(C)C)c1.
What is the InChIKey of 3-ethyl-N-propan-2-ylsulfanylaniline?
The InChIKey is GEKTVOJSPDBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-10-6-5-7-11(8-10)12-13-9(2)3/h5-9,12H,4H2,1-3H3.
What are the key properties of 3-ethyl-N-propan-2-ylsulfanylaniline?
3-ethyl-N-propan-2-ylsulfanylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propan-2-ylsulfanylaniline is sourced from PubChem (CID 166883017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).