1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine

C10H21NS — CID 103714101

IUPAC1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine
SMILESCCSCCN1CC(C)C(C)C1
InChIInChI=1S/C10H21NS/c1-4-12-6-5-11-7-9(2)10(3)8-11/h9-10H,4-8H2,1-3H3
InChIKeyYTYORYFJRXZVTO-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine

1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine (PubChem CID 103714101) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine
PubChem CID103714101
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine
SMILESCCSCCN1CC(C)C(C)C1
InChIInChI=1S/C10H21NS/c1-4-12-6-5-11-7-9(2)10(3)8-11/h9-10H,4-8H2,1-3H3
InChIKeyYTYORYFJRXZVTO-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine 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

3,5-Dimethyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazolidine
CID 91439838
3-Fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
CID 130685001
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
1-Methyl-3-propylsulfanylpyrrolidine
CID 18722954
3-Butylsulfanyl-1-methylpyrrolidine
CID 18723137
N-[[4-[bis(methylsulfanyl)methyl]-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723538
3-(3,3-Dimethylbutyl)-1,3-thiazolidine
CID 20774319
2,2,5-Trimethyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
CID 21021855
2-(Pyrrolidin-1-ylmethyl)butane-1-thiol
CID 23362375
3-Methyl-4-pyrrolidin-1-ylbutane-1-thiol
CID 23362526

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine (CID 103714101) is 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine is CCSCCN1CC(C)C(C)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine?
The InChIKey is YTYORYFJRXZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-12-6-5-11-7-9(2)10(3)8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine?
1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3,4-dimethylpyrrolidine is sourced from PubChem (CID 103714101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).