1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea

C10H14N2O2S — CID 18646413

IUPAC1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESCc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-6-2-3-9(15-6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyKZRFXQJUJLWKLF-JGVFFNPUSA-N
MW226.30 g/mol
LogP1.93
Rot. Bonds3

About 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea

1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea (PubChem CID 18646413) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
PubChem CID18646413
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESCc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-6-2-3-9(15-6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyKZRFXQJUJLWKLF-JGVFFNPUSA-N
XLogP1.93
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]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-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea (CID 18646413) is 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea is Cc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)s1.
What is the InChIKey of 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The InChIKey is KZRFXQJUJLWKLF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-2-3-9(15-6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1.
What are the key properties of 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea?
1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea has a molecular weight of 226.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea is sourced from PubChem (CID 18646413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).