2-ethyl-1-(thietan-3-yl)pyrrolidine

C9H17NS — CID 166158037

IUPAC2-ethyl-1-(thietan-3-yl)pyrrolidine
SMILESCCC1CCCN1C1CSC1
InChIInChI=1S/C9H17NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h8-9H,2-7H2,1H3
InChIKeyCWSUICHAFIHIFK-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.98
Rot. Bonds2

About 2-ethyl-1-(thietan-3-yl)pyrrolidine

2-ethyl-1-(thietan-3-yl)pyrrolidine (PubChem CID 166158037) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-ethyl-1-(thietan-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(thietan-3-yl)pyrrolidine
PubChem CID166158037
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-ethyl-1-(thietan-3-yl)pyrrolidine
SMILESCCC1CCCN1C1CSC1
InChIInChI=1S/C9H17NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h8-9H,2-7H2,1H3
InChIKeyCWSUICHAFIHIFK-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine
CID 166158036
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
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1-cyclopropyl-2-ethylazetidine
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2-ethyl-1-(6-methylpiperidin-3-yl)piperidine
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(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
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2-ethyl-1-(6-methylpiperidin-3-yl)azepane
CID 104690102
[2-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 60974547
[1-(thiolan-3-yl)piperidin-2-yl]methanol
CID 83831942
2-ethyl-1-iodopyrrolidine
CID 88932324
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79656929
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79633807

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(thietan-3-yl)pyrrolidine?
The IUPAC name of 2-ethyl-1-(thietan-3-yl)pyrrolidine (CID 166158037) is 2-ethyl-1-(thietan-3-yl)pyrrolidine.
What is the SMILES notation for 2-ethyl-1-(thietan-3-yl)pyrrolidine?
The canonical SMILES for 2-ethyl-1-(thietan-3-yl)pyrrolidine is CCC1CCCN1C1CSC1.
What is the InChIKey of 2-ethyl-1-(thietan-3-yl)pyrrolidine?
The InChIKey is CWSUICHAFIHIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-ethyl-1-(thietan-3-yl)pyrrolidine?
2-ethyl-1-(thietan-3-yl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(thietan-3-yl)pyrrolidine is sourced from PubChem (CID 166158037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).