1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

C11H12N2O2S — CID 10681296

IUPAC1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
SMILESC[C@H](c1cc2ccccc2s1)N(O)C(N)=O
InChIInChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyMWLSOWXNZPKENC-SSDOTTSWSA-N
MW236.30 g/mol
LogP2.73
Rot. Bonds2

About 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea (PubChem CID 10681296) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
PubChem CID10681296
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
SMILESC[C@H](c1cc2ccccc2s1)N(O)C(N)=O
InChIInChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyMWLSOWXNZPKENC-SSDOTTSWSA-N
XLogP2.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.73
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-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea (CID 10681296) is 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea is C[C@H](c1cc2ccccc2s1)N(O)C(N)=O.
What is the InChIKey of 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is MWLSOWXNZPKENC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea?
1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 236.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10681296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).