2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine

C11H24N2S — CID 107392075

IUPAC2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
SMILESCCN(CC)CCSCCC1CNC1
InChIInChI=1S/C11H24N2S/c1-3-13(4-2)6-8-14-7-5-11-9-12-10-11/h11-12H,3-10H2,1-2H3
InChIKeyVZAUJXIHAJFUMN-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds8

About 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine

2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine (PubChem CID 107392075) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
PubChem CID107392075
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
SMILESCCN(CC)CCSCCC1CNC1
InChIInChI=1S/C11H24N2S/c1-3-13(4-2)6-8-14-7-5-11-9-12-10-11/h11-12H,3-10H2,1-2H3
InChIKeyVZAUJXIHAJFUMN-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine 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

(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
CID 134995244
iso Amyl 3-methylthiopropylamine
CID 20343067
N-(2-ethylsulfanylethyl)-3-methylbutan-1-amine
CID 62579014
N-butyl-2-methyl-3-methylsulfanylbutan-1-amine
CID 88944741
2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107757295
4-[2-(Azetidin-3-yl)ethyl]thiomorpholine
CID 116679313
5-Thia-2,9-diazaspiro[3.7]undecane
CID 122672051
(2S)-3-butan-2-ylsulfanyl-N,2-dimethylbutan-1-amine
CID 126517291
3-Propan-2-yl-3-propan-2-ylsulfanylazetidine
CID 164846016
3-(1-Ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
CID 167098001
(2R,3S)-2-methyl-3-(propan-2-ylsulfanylmethyl)azetidine
CID 175869116
N-(2-butan-2-ylsulfanylpropyl)-3-methylbutan-1-amine
CID 62576316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine (CID 107392075) is 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine is CCN(CC)CCSCCC1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine?
The InChIKey is VZAUJXIHAJFUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-13(4-2)6-8-14-7-5-11-9-12-10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine?
2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine is sourced from PubChem (CID 107392075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).