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

C12H23NS — CID 134895523

IUPAC1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine
SMILESCCCC1(N2CCCC2)CSC1CC
InChIInChI=1S/C12H23NS/c1-3-7-12(10-14-11(12)4-2)13-8-5-6-9-13/h11H,3-10H2,1-2H3
InChIKeyKGAWTMJPZOZMEM-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.15
Rot. Bonds4

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

1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine (PubChem CID 134895523) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine
PubChem CID134895523
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine
SMILESCCCC1(N2CCCC2)CSC1CC
InChIInChI=1S/C12H23NS/c1-3-7-12(10-14-11(12)4-2)13-8-5-6-9-13/h11H,3-10H2,1-2H3
InChIKeyKGAWTMJPZOZMEM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethyl-2-methylthietan-3-yl)pyrrolidine
CID 134881531
2-Ethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-3-propylthietane 1-oxide chloride
CID 24194782
(2-Ethyl-3-propylthietan-3-yl)-trimethylazanium iodide
CID 24198612
Ethane;2-methyl-6-thia-2-azaspiro[4.5]decane
CID 145416360
1-Methyl-7-thia-1-azaspiro[4.4]nonane
CID 156227291
7,8-Dimethyl-1-thia-7-azaspiro[4.4]nonane
CID 169831974
7-Tert-butyl-1-thia-7-azaspiro[3.4]octane
CID 172135075
Ethane;5-methyl-2-thia-5-azaspiro[3.4]octane
CID 178087050
2-Ethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-3-propylthietane 1-oxide
CID 425342
(2-Ethyl-3-propylthietan-3-yl)-trimethylazanium
CID 431959
2-Methyl-6-thia-2-azaspiro[4.5]decane
CID 82411960
[(2S,3R)-2-ethyl-3-propylthietan-3-yl]-trimethylazanium
CID 92169134

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine?
The IUPAC name of 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine (CID 134895523) is 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine?
The canonical SMILES for 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine is CCCC1(N2CCCC2)CSC1CC.
What is the InChIKey of 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine?
The InChIKey is KGAWTMJPZOZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-3-7-12(10-14-11(12)4-2)13-8-5-6-9-13/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine?
1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine has a molecular weight of 213.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-propylthietan-3-yl)pyrrolidine is sourced from PubChem (CID 134895523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).