1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine

C12H25NS — CID 103715167

IUPAC1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine
SMILESCCCC1CCN(CCCSCC)C1
InChIInChI=1S/C12H25NS/c1-3-6-12-7-9-13(11-12)8-5-10-14-4-2/h12H,3-11H2,1-2H3
InChIKeyUVCKKNNJHDEGHK-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds7

About 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine

1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine (PubChem CID 103715167) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine
PubChem CID103715167
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine
SMILESCCCC1CCN(CCCSCC)C1
InChIInChI=1S/C12H25NS/c1-3-6-12-7-9-13(11-12)8-5-10-14-4-2/h12H,3-11H2,1-2H3
InChIKeyUVCKKNNJHDEGHK-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
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

1-(2-Ethyl-3-propylthietan-3-yl)pyrrolidine
CID 134895523
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
2,3-Diethyl-8-thia-5-azoniaspiro[4.5]decane
CID 20676427
2,3-Dimethyl-6-thia-2-azaspiro[4.5]decane
CID 21054010
2,3,4-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 21644622
2-(2-Pyrrolidin-1-ylethyl)hexane-1-thiol
CID 23362400
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine (CID 103715167) is 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine is CCCC1CCN(CCCSCC)C1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine?
The InChIKey is UVCKKNNJHDEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-6-12-7-9-13(11-12)8-5-10-14-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine?
1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-3-propylpyrrolidine is sourced from PubChem (CID 103715167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).