(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea

C5H11N3OS — CID 61121623

IUPAC(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
SMILESCC(C)(NC(N)=O)C(N)=S
InChIInChI=1S/C5H11N3OS/c1-5(2,3(6)10)8-4(7)9/h1-2H3,(H2,6,10)(H3,7,8,9)
InChIKeyXUDLUGAGJWTANN-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.28
Rot. Bonds2

About (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea

(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea (PubChem CID 61121623) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea.

Molecular Properties

Compound Name(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
PubChem CID61121623
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC Name(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
SMILESCC(C)(NC(N)=O)C(N)=S
InChIInChI=1S/C5H11N3OS/c1-5(2,3(6)10)8-4(7)9/h1-2H3,(H2,6,10)(H3,7,8,9)
InChIKeyXUDLUGAGJWTANN-UHFFFAOYSA-N
XLogP-0.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea?
The IUPAC name of (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea (CID 61121623) is (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea.
What is the SMILES notation for (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea?
The canonical SMILES for (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea is CC(C)(NC(N)=O)C(N)=S.
What is the InChIKey of (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea?
The InChIKey is XUDLUGAGJWTANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c1-5(2,3(6)10)8-4(7)9/h1-2H3,(H2,6,10)(H3,7,8,9).
What are the key properties of (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea?
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea has a molecular weight of 161.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea is sourced from PubChem (CID 61121623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).