1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione

C9H17NS2 — CID 45118555

IUPAC1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione
SMILESCCSC(C)CN1CCCC1=S
InChIInChI=1S/C9H17NS2/c1-3-12-8(2)7-10-6-4-5-9(10)11/h8H,3-7H2,1-2H3
InChIKeyNADPSKLUEOXSPA-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione

1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione (PubChem CID 45118555) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione
PubChem CID45118555
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione
SMILESCCSC(C)CN1CCCC1=S
InChIInChI=1S/C9H17NS2/c1-3-12-8(2)7-10-6-4-5-9(10)11/h8H,3-7H2,1-2H3
InChIKeyNADPSKLUEOXSPA-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Propylthiazolidine-2-thione
CID 44430052
Carbamodithioic acid, dibutyl-, ethyl ester
CID 521061
2-(3-Fluoropyrrolidin-1-yl)ethyl-dimethyl-methylsulfanyl-lambda4-sulfane
CID 123716091
3-Butyl-1,3-thiazolidine-2-thione;hydroiodide
CID 24195886
1-[3-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806339
1-[2-(Ethylthio)ethyl]-2-pyrrolidinethione
CID 129806383
1-[2-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806519
3-(5-Pentylsulfanylpentyl)-1,3-thiazolidine
CID 218550
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
3-(5-Propylsulfanylpentyl)-1,3-thiazolidine
CID 3038855
3-(5-Butylsulfanylpentyl)-1,3-thiazolidine
CID 3038857
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione?
The IUPAC name of 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione (CID 45118555) is 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione.
What is the SMILES notation for 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione?
The canonical SMILES for 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione is CCSC(C)CN1CCCC1=S.
What is the InChIKey of 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione?
The InChIKey is NADPSKLUEOXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-3-12-8(2)7-10-6-4-5-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione?
1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione has a molecular weight of 203.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylpropyl)pyrrolidine-2-thione is sourced from PubChem (CID 45118555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).