1-(2-ethylsulfanylethyl)-3-propylpyrrolidine

C11H23NS — CID 103715168

IUPAC1-(2-ethylsulfanylethyl)-3-propylpyrrolidine
SMILESCCCC1CCN(CCSCC)C1
InChIInChI=1S/C11H23NS/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h11H,3-10H2,1-2H3
InChIKeyFFRIMSVSOOBBBA-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine

1-(2-ethylsulfanylethyl)-3-propylpyrrolidine (PubChem CID 103715168) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3-propylpyrrolidine
PubChem CID103715168
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(2-ethylsulfanylethyl)-3-propylpyrrolidine
SMILESCCCC1CCN(CCSCC)C1
InChIInChI=1S/C11H23NS/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h11H,3-10H2,1-2H3
InChIKeyFFRIMSVSOOBBBA-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diethyl-8-thia-5-azoniaspiro[4.5]decane
CID 20676427
2-(2-Pyrrolidin-1-ylethyl)hexane-1-thiol
CID 23362400
2-Ethyl-4-pyrrolidin-1-ylbutane-1-thiol
CID 23362402
2-(Pyrrolidin-1-ylmethyl)pentane-1-thiol
CID 23362438
3-(Pyrrolidin-1-ylmethyl)heptane-1-thiol
CID 23362442
3-(Pyrrolidin-1-ylmethyl)hexane-1-thiol
CID 23362446
2-(Pyrrolidin-1-ylmethyl)hexane-1-thiol
CID 23362461
2-(2-Pyrrolidin-1-ylethyl)pentane-1-thiol
CID 23362462
3-(4-Methylpentyl)-1,3-thiazolidine
CID 58357315
3-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
2-(Methylsulfanylmethyl)-1,3-di(propan-2-yl)pyrrolidine
CID 58778428
3-(Methylsulfanylmethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778431

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine (CID 103715168) is 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine is CCCC1CCN(CCSCC)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine?
The InChIKey is FFRIMSVSOOBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-5-11-6-7-12(10-11)8-9-13-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine?
1-(2-ethylsulfanylethyl)-3-propylpyrrolidine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3-propylpyrrolidine is sourced from PubChem (CID 103715168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).