1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea

C9H11ClN2O2S — CID 18646409

IUPAC1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c10-8-2-1-7(15-8)6-3-5(6)4-12(14)9(11)13/h1-2,5-6,14H,3-4H2,(H2,11,13)/t5-,6+/m0/s1
InChIKeyBULDQLOHAWPAIT-NTSWFWBYSA-N
MW246.72 g/mol
LogP2.27
Rot. Bonds3

About 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea

1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 18646409) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
PubChem CID18646409
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c10-8-2-1-7(15-8)6-3-5(6)4-12(14)9(11)13/h1-2,5-6,14H,3-4H2,(H2,11,13)/t5-,6+/m0/s1
InChIKeyBULDQLOHAWPAIT-NTSWFWBYSA-N
XLogP2.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.27
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,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea (CID 18646409) is 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(Cl)s1.
What is the InChIKey of 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is BULDQLOHAWPAIT-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-8-2-1-7(15-8)6-3-5(6)4-12(14)9(11)13/h1-2,5-6,14H,3-4H2,(H2,11,13)/t5-,6+/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 246.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 18646409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).