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

C10H19NS — CID 134881531

IUPAC1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine
SMILESCCC1(N2CCCC2)CSC1C
InChIInChI=1S/C10H19NS/c1-3-10(8-12-9(10)2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyFDOCXJJJAWXRAR-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.37
Rot. Bonds2

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

1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine (PubChem CID 134881531) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine
PubChem CID134881531
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine
SMILESCCC1(N2CCCC2)CSC1C
InChIInChI=1S/C10H19NS/c1-3-10(8-12-9(10)2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyFDOCXJJJAWXRAR-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Ethyl-3-propylthietan-3-yl)pyrrolidine
CID 134895523
1-Tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 59522782
(3R)-1-tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 67294159
7-Tert-butyl-2-thia-7-azaspiro[4.4]nonane
CID 68023397
1-Tert-butyl-3-(2,2-dimethylpropylsulfanyl)pyrrolidine
CID 118603836
3-Tert-butyl-6-thia-3-azabicyclo[3.2.0]heptane
CID 118901668
3-ethyl-N,N-dimethylthiolan-3-amine
CID 123227709
1-Tert-butyl-3-methylsulfanylpyrrolidine
CID 143329311
Ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine
CID 145416358
Trimethyl-(1,5,5-trimethylpyrrolidin-3-yl)-lambda4-sulfane
CID 156051290
(5S)-7-tert-butyl-2-thia-7-azaspiro[4.4]nonane
CID 167157574
1-(3-Methylbutyl)-3-(2-propan-2-ylsulfanylethyl)pyrrolidine
CID 167480217

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine?
The IUPAC name of 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine (CID 134881531) is 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine?
The canonical SMILES for 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine is CCC1(N2CCCC2)CSC1C.
What is the InChIKey of 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine?
The InChIKey is FDOCXJJJAWXRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-10(8-12-9(10)2)11-6-4-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine?
1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylthietan-3-yl)pyrrolidine is sourced from PubChem (CID 134881531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).