3-ethyl-N-methyl-N-propylsulfanylaniline

C12H19NS — CID 170278747

IUPAC3-ethyl-N-methyl-N-propylsulfanylaniline
SMILESCCCSN(C)c1cccc(CC)c1
InChIInChI=1S/C12H19NS/c1-4-9-14-13(3)12-8-6-7-11(5-2)10-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyRGERKXCQBIYYAQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.74
Rot. Bonds5

About 3-ethyl-N-methyl-N-propylsulfanylaniline

3-ethyl-N-methyl-N-propylsulfanylaniline (PubChem CID 170278747) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-propylsulfanylaniline.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-propylsulfanylaniline
PubChem CID170278747
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-ethyl-N-methyl-N-propylsulfanylaniline
SMILESCCCSN(C)c1cccc(CC)c1
InChIInChI=1S/C12H19NS/c1-4-9-14-13(3)12-8-6-7-11(5-2)10-12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyRGERKXCQBIYYAQ-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-diethyl-N-methylaniline
CID 131018542
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
CID 139519281
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
CID 101074585
1-(3-ethylphenyl)-1-methylguanidine
CID 19009787
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
N-(4-ethenylphenyl)-3-ethyl-N-methylaniline
CID 118311414
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
3-ethyl-N-propan-2-yl-N-(trifluoromethyl)aniline
CID 71635094
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
CID 71107442

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-propylsulfanylaniline?
The IUPAC name of 3-ethyl-N-methyl-N-propylsulfanylaniline (CID 170278747) is 3-ethyl-N-methyl-N-propylsulfanylaniline.
What is the SMILES notation for 3-ethyl-N-methyl-N-propylsulfanylaniline?
The canonical SMILES for 3-ethyl-N-methyl-N-propylsulfanylaniline is CCCSN(C)c1cccc(CC)c1.
What is the InChIKey of 3-ethyl-N-methyl-N-propylsulfanylaniline?
The InChIKey is RGERKXCQBIYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-9-14-13(3)12-8-6-7-11(5-2)10-12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-N-propylsulfanylaniline?
3-ethyl-N-methyl-N-propylsulfanylaniline has a molecular weight of 209.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-propylsulfanylaniline is sourced from PubChem (CID 170278747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).