1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea

C10H14N2O2S — CID 57098713

IUPAC1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea
SMILESNC(=O)N(O)CCC1CC1c1cccs1
InChIInChI=1S/C10H14N2O2S/c11-10(13)12(14)4-3-7-6-8(7)9-2-1-5-15-9/h1-2,5,7-8,14H,3-4,6H2,(H2,11,13)
InChIKeyBJTKTUXGNFVPQU-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.01
Rot. Bonds4

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

1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea (PubChem CID 57098713) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea
PubChem CID57098713
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea
SMILESNC(=O)N(O)CCC1CC1c1cccs1
InChIInChI=1S/C10H14N2O2S/c11-10(13)12(14)4-3-7-6-8(7)9-2-1-5-15-9/h1-2,5,7-8,14H,3-4,6H2,(H2,11,13)
InChIKeyBJTKTUXGNFVPQU-UHFFFAOYSA-N
XLogP2.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.01
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-thiophen-2-ylcyclopropyl]methyl]urea
CID 18646340
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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea (CID 57098713) is 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea is NC(=O)N(O)CCC1CC1c1cccs1.
What is the InChIKey of 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The InChIKey is BJTKTUXGNFVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-10(13)12(14)4-3-7-6-8(7)9-2-1-5-15-9/h1-2,5,7-8,14H,3-4,6H2,(H2,11,13).
What are the key properties of 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea has a molecular weight of 226.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[2-(2-thiophen-2-ylcyclopropyl)ethyl]urea is sourced from PubChem (CID 57098713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).