5-(aminomethyl)pyrrolidine-2-thione

C5H10N2S — CID 20623915

IUPAC5-(aminomethyl)pyrrolidine-2-thione
SMILESNCC1CCC(=S)N1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)
InChIKeyYGXKURCHWWVOKJ-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.02
Rot. Bonds1

About 5-(aminomethyl)pyrrolidine-2-thione

5-(aminomethyl)pyrrolidine-2-thione (PubChem CID 20623915) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 5-(aminomethyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name5-(aminomethyl)pyrrolidine-2-thione
PubChem CID20623915
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name5-(aminomethyl)pyrrolidine-2-thione
SMILESNCC1CCC(=S)N1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)
InChIKeyYGXKURCHWWVOKJ-UHFFFAOYSA-N
XLogP0.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyrrolidine-2-thione?
The IUPAC name of 5-(aminomethyl)pyrrolidine-2-thione (CID 20623915) is 5-(aminomethyl)pyrrolidine-2-thione.
What is the SMILES notation for 5-(aminomethyl)pyrrolidine-2-thione?
The canonical SMILES for 5-(aminomethyl)pyrrolidine-2-thione is NCC1CCC(=S)N1.
What is the InChIKey of 5-(aminomethyl)pyrrolidine-2-thione?
The InChIKey is YGXKURCHWWVOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8).
What are the key properties of 5-(aminomethyl)pyrrolidine-2-thione?
5-(aminomethyl)pyrrolidine-2-thione has a molecular weight of 130.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyrrolidine-2-thione is sourced from PubChem (CID 20623915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).