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

C13H29NS — CID 166158036

IUPACethane;2-ethyl-1-(thietan-3-yl)pyrrolidine
SMILESCC.CC.CCC1CCCN1C1CSC1
InChIInChI=1S/C9H17NS.2C2H6/c1-2-8-4-3-5-10(8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyLFFLPKBQWQLMQH-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.03
Rot. Bonds2

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

ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine (PubChem CID 166158036) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;2-ethyl-1-(thietan-3-yl)pyrrolidine
PubChem CID166158036
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Nameethane;2-ethyl-1-(thietan-3-yl)pyrrolidine
SMILESCC.CC.CCC1CCCN1C1CSC1
InChIInChI=1S/C9H17NS.2C2H6/c1-2-8-4-3-5-10(8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyLFFLPKBQWQLMQH-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(thietan-3-yl)pyrrolidine
CID 166158037
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
CID 58468068
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179
1-cyclopropyl-2-ethylazetidine
CID 170195818
2-ethyl-1-(6-methylpiperidin-3-yl)piperidine
CID 63157512
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
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 ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine?
The IUPAC name of ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine (CID 166158036) is ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine.
What is the SMILES notation for ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine?
The canonical SMILES for ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine is CC.CC.CCC1CCCN1C1CSC1.
What is the InChIKey of ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine?
The InChIKey is LFFLPKBQWQLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.2C2H6/c1-2-8-4-3-5-10(8)9-6-11-7-9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine?
ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine has a molecular weight of 231.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine is sourced from PubChem (CID 166158036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).