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

C9H12N2O2S — CID 18646340

IUPAC1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C9H12N2O2S/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12)/t6-,7+/m0/s1
InChIKeyKOZTZOVTHYIMIZ-NKWVEPMBSA-N
MW212.27 g/mol
LogP1.62
Rot. Bonds3

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

1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea (PubChem CID 18646340) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
PubChem CID18646340
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1cccs1
InChIInChI=1S/C9H12N2O2S/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12)/t6-,7+/m0/s1
InChIKeyKOZTZOVTHYIMIZ-NKWVEPMBSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.62
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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Related Compounds

N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903
4-[(4-Fluorothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 174905915
1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646366
1-hydroxy-1-[[(1R,2R)-2-thiophen-3-ylcyclopropyl]methyl]urea
CID 18646368
1-[[(1R,2R)-2-(4-bromothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646378
1-[[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646407
1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646409
1-hydroxy-1-[[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646413
1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646416
1-[[(1R,2R)-2-(1-benzothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646422
1-Hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea
CID 19780434
1-Hydroxy-1-(2-thiophen-2-ylpropyl)urea
CID 19780438

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea (CID 18646340) is 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea is NC(=O)N(O)C[C@@H]1C[C@H]1c1cccs1.
What is the InChIKey of 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea?
The InChIKey is KOZTZOVTHYIMIZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12)/t6-,7+/m0/s1.
What are the key properties of 1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea?
1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea has a molecular weight of 212.27 g/mol, XLogP of 1.62, 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-thiophen-2-ylcyclopropyl]methyl]urea is sourced from PubChem (CID 18646340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).