(5S)-5-(aminomethyl)pyrrolidine-2-thione

C5H10N2S — CID 59927184

IUPAC(5S)-5-(aminomethyl)pyrrolidine-2-thione
SMILESNC[C@@H]1CCC(=S)N1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKeyYGXKURCHWWVOKJ-BYPYZUCNSA-N
MW130.22 g/mol
LogP0.02
Rot. Bonds1

About (5S)-5-(aminomethyl)pyrrolidine-2-thione

(5S)-5-(aminomethyl)pyrrolidine-2-thione (PubChem CID 59927184) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)pyrrolidine-2-thione
PubChem CID59927184
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(5S)-5-(aminomethyl)pyrrolidine-2-thione
SMILESNC[C@@H]1CCC(=S)N1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKeyYGXKURCHWWVOKJ-BYPYZUCNSA-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 (5S)-5-(aminomethyl)pyrrolidine-2-thione?
The IUPAC name of (5S)-5-(aminomethyl)pyrrolidine-2-thione (CID 59927184) is (5S)-5-(aminomethyl)pyrrolidine-2-thione.
What is the SMILES notation for (5S)-5-(aminomethyl)pyrrolidine-2-thione?
The canonical SMILES for (5S)-5-(aminomethyl)pyrrolidine-2-thione is NC[C@@H]1CCC(=S)N1.
What is the InChIKey of (5S)-5-(aminomethyl)pyrrolidine-2-thione?
The InChIKey is YGXKURCHWWVOKJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2S/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)pyrrolidine-2-thione?
(5S)-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 (5S)-5-(aminomethyl)pyrrolidine-2-thione is sourced from PubChem (CID 59927184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).