2-ethyl-2-(thiolan-2-yl)pyrrolidine

C10H19NS — CID 117270993

IUPAC2-ethyl-2-(thiolan-2-yl)pyrrolidine
SMILESCCC1(C2CCCS2)CCCN1
InChIInChI=1S/C10H19NS/c1-2-10(6-4-7-11-10)9-5-3-8-12-9/h9,11H,2-8H2,1H3
InChIKeyJWIFQCSQZAIJIV-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-2-(thiolan-2-yl)pyrrolidine

2-ethyl-2-(thiolan-2-yl)pyrrolidine (PubChem CID 117270993) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-ethyl-2-(thiolan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(thiolan-2-yl)pyrrolidine
PubChem CID117270993
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-ethyl-2-(thiolan-2-yl)pyrrolidine
SMILESCCC1(C2CCCS2)CCCN1
InChIInChI=1S/C10H19NS/c1-2-10(6-4-7-11-10)9-5-3-8-12-9/h9,11H,2-8H2,1H3
InChIKeyJWIFQCSQZAIJIV-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
CID 117271997
2-methyl-2-(thiolan-2-yl)pyrrolidine
CID 105434982
7a-ethyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
CID 83680079
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-cyclopentyl-2-propylpyrrolidine
CID 66466252
2-(oxolan-2-yl)-2-(thiolan-2-yl)pyrrolidine
CID 91145932
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2-cyclopropyl-2-(2-methylbutyl)pyrrolidine
CID 66466256
methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838382

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiolan-2-yl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(thiolan-2-yl)pyrrolidine (CID 117270993) is 2-ethyl-2-(thiolan-2-yl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(thiolan-2-yl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(thiolan-2-yl)pyrrolidine is CCC1(C2CCCS2)CCCN1.
What is the InChIKey of 2-ethyl-2-(thiolan-2-yl)pyrrolidine?
The InChIKey is JWIFQCSQZAIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-10(6-4-7-11-10)9-5-3-8-12-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-ethyl-2-(thiolan-2-yl)pyrrolidine?
2-ethyl-2-(thiolan-2-yl)pyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiolan-2-yl)pyrrolidine is sourced from PubChem (CID 117270993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).