2-(2-aminoethylsulfanyl)ethylurea

C5H13N3OS — CID 21322474

IUPAC2-(2-aminoethylsulfanyl)ethylurea
SMILESNCCSCCNC(N)=O
InChIInChI=1S/C5H13N3OS/c6-1-3-10-4-2-8-5(7)9/h1-4,6H2,(H3,7,8,9)
InChIKeyXSUJVWLWSRWAQL-UHFFFAOYSA-N
MW163.25 g/mol
LogP-0.65
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)ethylurea

2-(2-aminoethylsulfanyl)ethylurea (PubChem CID 21322474) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)ethylurea.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)ethylurea
PubChem CID21322474
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC Name2-(2-aminoethylsulfanyl)ethylurea
SMILESNCCSCCNC(N)=O
InChIInChI=1S/C5H13N3OS/c6-1-3-10-4-2-8-5(7)9/h1-4,6H2,(H3,7,8,9)
InChIKeyXSUJVWLWSRWAQL-UHFFFAOYSA-N
XLogP-0.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)ethylurea?
The IUPAC name of 2-(2-aminoethylsulfanyl)ethylurea (CID 21322474) is 2-(2-aminoethylsulfanyl)ethylurea.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)ethylurea?
The canonical SMILES for 2-(2-aminoethylsulfanyl)ethylurea is NCCSCCNC(N)=O.
What is the InChIKey of 2-(2-aminoethylsulfanyl)ethylurea?
The InChIKey is XSUJVWLWSRWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c6-1-3-10-4-2-8-5(7)9/h1-4,6H2,(H3,7,8,9).
What are the key properties of 2-(2-aminoethylsulfanyl)ethylurea?
2-(2-aminoethylsulfanyl)ethylurea has a molecular weight of 163.25 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)ethylurea is sourced from PubChem (CID 21322474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).