1-amino-3-pyrrolidin-1-ylthiourea

C5H12N4S — CID 126999193

IUPAC1-amino-3-pyrrolidin-1-ylthiourea
SMILESNNC(=S)NN1CCCC1
InChIInChI=1S/C5H12N4S/c6-7-5(10)8-9-3-1-2-4-9/h1-4,6H2,(H2,7,8,10)
InChIKeyPWWONHGNTSWVEV-UHFFFAOYSA-N
MW160.25 g/mol
LogP-0.67
Rot. Bonds1

About 1-amino-3-pyrrolidin-1-ylthiourea

1-amino-3-pyrrolidin-1-ylthiourea (PubChem CID 126999193) has the molecular formula C5H12N4S and a molecular weight of 160.25 g/mol. Its IUPAC name is 1-amino-3-pyrrolidin-1-ylthiourea.

Molecular Properties

Compound Name1-amino-3-pyrrolidin-1-ylthiourea
PubChem CID126999193
Molecular FormulaC5H12N4S
Molecular Weight160.25 g/mol
Exact Mass160.08
IUPAC Name1-amino-3-pyrrolidin-1-ylthiourea
SMILESNNC(=S)NN1CCCC1
InChIInChI=1S/C5H12N4S/c6-7-5(10)8-9-3-1-2-4-9/h1-4,6H2,(H2,7,8,10)
InChIKeyPWWONHGNTSWVEV-UHFFFAOYSA-N
XLogP-0.67
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-Pyrrolidin-1-ylthiourea
CID 44291858
Pyrrolidine thiosemicarbazide
CID 20184680
(Pyrrolidine-1-carbothioylamino)thiourea
CID 4058586
1-Amino-3-(dipropylamino)thiourea
CID 55281697

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pyrrolidin-1-ylthiourea?
The IUPAC name of 1-amino-3-pyrrolidin-1-ylthiourea (CID 126999193) is 1-amino-3-pyrrolidin-1-ylthiourea.
What is the SMILES notation for 1-amino-3-pyrrolidin-1-ylthiourea?
The canonical SMILES for 1-amino-3-pyrrolidin-1-ylthiourea is NNC(=S)NN1CCCC1.
What is the InChIKey of 1-amino-3-pyrrolidin-1-ylthiourea?
The InChIKey is PWWONHGNTSWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S/c6-7-5(10)8-9-3-1-2-4-9/h1-4,6H2,(H2,7,8,10).
What are the key properties of 1-amino-3-pyrrolidin-1-ylthiourea?
1-amino-3-pyrrolidin-1-ylthiourea has a molecular weight of 160.25 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-pyrrolidin-1-ylthiourea is sourced from PubChem (CID 126999193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).