1-amino-3-(thiolan-3-yl)urea

C5H11N3OS — CID 103064361

IUPAC1-amino-3-(thiolan-3-yl)urea
SMILESNNC(=O)NC1CCSC1
InChIInChI=1S/C5H11N3OS/c6-8-5(9)7-4-1-2-10-3-4/h4H,1-3,6H2,(H2,7,8,9)
InChIKeyVJLBIEJOMMMZRD-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.34
Rot. Bonds1

About 1-amino-3-(thiolan-3-yl)urea

1-amino-3-(thiolan-3-yl)urea (PubChem CID 103064361) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-amino-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-amino-3-(thiolan-3-yl)urea
PubChem CID103064361
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Name1-amino-3-(thiolan-3-yl)urea
SMILESNNC(=O)NC1CCSC1
InChIInChI=1S/C5H11N3OS/c6-8-5(9)7-4-1-2-10-3-4/h4H,1-3,6H2,(H2,7,8,9)
InChIKeyVJLBIEJOMMMZRD-UHFFFAOYSA-N
XLogP-0.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(thiolan-3-yl)urea?
The IUPAC name of 1-amino-3-(thiolan-3-yl)urea (CID 103064361) is 1-amino-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-amino-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-amino-3-(thiolan-3-yl)urea is NNC(=O)NC1CCSC1.
What is the InChIKey of 1-amino-3-(thiolan-3-yl)urea?
The InChIKey is VJLBIEJOMMMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c6-8-5(9)7-4-1-2-10-3-4/h4H,1-3,6H2,(H2,7,8,9).
What are the key properties of 1-amino-3-(thiolan-3-yl)urea?
1-amino-3-(thiolan-3-yl)urea has a molecular weight of 161.23 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(thiolan-3-yl)urea is sourced from PubChem (CID 103064361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).