2,3-diethyl-1-sulfanylpyrrolidine

C8H17NS — CID 144764567

IUPAC2,3-diethyl-1-sulfanylpyrrolidine
SMILESCCC1CCN(S)C1CC
InChIInChI=1S/C8H17NS/c1-3-7-5-6-9(10)8(7)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyTZITUNUUMVCADN-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.34
Rot. Bonds2

About 2,3-diethyl-1-sulfanylpyrrolidine

2,3-diethyl-1-sulfanylpyrrolidine (PubChem CID 144764567) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2,3-diethyl-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name2,3-diethyl-1-sulfanylpyrrolidine
PubChem CID144764567
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2,3-diethyl-1-sulfanylpyrrolidine
SMILESCCC1CCN(S)C1CC
InChIInChI=1S/C8H17NS/c1-3-7-5-6-9(10)8(7)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyTZITUNUUMVCADN-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 126603224
1,3-diethyl-2-methylpyrrolidine;hydrofluoride
CID 175583829
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
CID 83845546
1-[(2-ethyl-1-methylpyrrolidin-3-yl)methyl]-1-methylhydrazine
CID 167500623
2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonitrile
CID 130877876
4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 89228890
(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
CID 134195657
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1-sulfanylpyrrolidine?
The IUPAC name of 2,3-diethyl-1-sulfanylpyrrolidine (CID 144764567) is 2,3-diethyl-1-sulfanylpyrrolidine.
What is the SMILES notation for 2,3-diethyl-1-sulfanylpyrrolidine?
The canonical SMILES for 2,3-diethyl-1-sulfanylpyrrolidine is CCC1CCN(S)C1CC.
What is the InChIKey of 2,3-diethyl-1-sulfanylpyrrolidine?
The InChIKey is TZITUNUUMVCADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-7-5-6-9(10)8(7)4-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2,3-diethyl-1-sulfanylpyrrolidine?
2,3-diethyl-1-sulfanylpyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1-sulfanylpyrrolidine is sourced from PubChem (CID 144764567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).