N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline

C16H26N2S — CID 43307452

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
SMILESCCN1CCC(C(C)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C16H26N2S/c1-4-18-10-8-14(9-11-18)13(2)17-15-6-5-7-16(12-15)19-3/h5-7,12-14,17H,4,8-11H2,1-3H3
InChIKeyLJJPLLHMWBMDGX-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline (PubChem CID 43307452) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
PubChem CID43307452
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
SMILESCCN1CCC(C(C)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C16H26N2S/c1-4-18-10-8-14(9-11-18)13(2)17-15-6-5-7-16(12-15)19-3/h5-7,12-14,17H,4,8-11H2,1-3H3
InChIKeyLJJPLLHMWBMDGX-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline 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-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 82857817
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indol-6-amine
CID 174414194
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline (CID 43307452) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline is CCN1CCC(C(C)Nc2cccc(SC)c2)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline?
The InChIKey is LJJPLLHMWBMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-18-10-8-14(9-11-18)13(2)17-15-6-5-7-16(12-15)19-3/h5-7,12-14,17H,4,8-11H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline has a molecular weight of 278.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline is sourced from PubChem (CID 43307452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).