3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine

C10H21NOS — CID 114796226

IUPAC3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
SMILESCCSCCOCCC1CCNC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-7-12-6-4-10-3-5-11-9-10/h10-11H,2-9H2,1H3
InChIKeyJWBIXWPQURGRGS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds7

About 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine

3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine (PubChem CID 114796226) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
PubChem CID114796226
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
SMILESCCSCCOCCC1CCNC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-7-12-6-4-10-3-5-11-9-10/h10-11H,2-9H2,1H3
InChIKeyJWBIXWPQURGRGS-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]azepane
CID 104680798
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine (CID 114796226) is 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine is CCSCCOCCC1CCNC1.
What is the InChIKey of 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine?
The InChIKey is JWBIXWPQURGRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-13-8-7-12-6-4-10-3-5-11-9-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine?
3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine has a molecular weight of 203.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 114796226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).