1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea

C10H14N2O2S — CID 19894228

IUPAC1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea
SMILESCNC(=O)N(O)CC1CC1c1ccsc1
InChIInChI=1S/C10H14N2O2S/c1-11-10(13)12(14)5-8-4-9(8)7-2-3-15-6-7/h2-3,6,8-9,14H,4-5H2,1H3,(H,11,13)
InChIKeyGPASEVOEMBGOKQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.88
Rot. Bonds3

About 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea

1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea (PubChem CID 19894228) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea
PubChem CID19894228
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea
SMILESCNC(=O)N(O)CC1CC1c1ccsc1
InChIInChI=1S/C10H14N2O2S/c1-11-10(13)12(14)5-8-4-9(8)7-2-3-15-6-7/h2-3,6,8-9,14H,4-5H2,1H3,(H,11,13)
InChIKeyGPASEVOEMBGOKQ-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 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 ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea?
The IUPAC name of 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea (CID 19894228) is 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea is CNC(=O)N(O)CC1CC1c1ccsc1.
What is the InChIKey of 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea?
The InChIKey is GPASEVOEMBGOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-11-10(13)12(14)5-8-4-9(8)7-2-3-15-6-7/h2-3,6,8-9,14H,4-5H2,1H3,(H,11,13).
What are the key properties of 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea?
1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea has a molecular weight of 226.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[(2-thiophen-3-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 19894228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).