1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea

C10H14N2O2S — CID 18646366

IUPAC1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESCc1ccsc1[C@@H]1C[C@H]1CN(O)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6-2-3-15-9(6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyKZMSUTRIQBPCGV-JGVFFNPUSA-N
MW226.30 g/mol
LogP1.93
Rot. Bonds3

About 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea

1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea (PubChem CID 18646366) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
PubChem CID18646366
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESCc1ccsc1[C@@H]1C[C@H]1CN(O)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6-2-3-15-9(6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1
InChIKeyKZMSUTRIQBPCGV-JGVFFNPUSA-N
XLogP1.93
TPSA66.56 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 ≤ 51.93
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-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450
N-hydroxy-N-[(3-methylthien-2-yl)methyl]urea
CID 10511759
N-[1-(2,5-dimethylthien-3-yl)ethyl]-N-hydroxyurea
CID 10680149
N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903
1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
CID 18646340
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-hydroxy-1-[[(1R,2R)-2-(4-methylsulfanylphenyl)cyclopropyl]methyl]urea
CID 18646397
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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea (CID 18646366) is 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea is Cc1ccsc1[C@@H]1C[C@H]1CN(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea?
The InChIKey is KZMSUTRIQBPCGV-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-2-3-15-9(6)8-4-7(8)5-12(14)10(11)13/h2-3,7-8,14H,4-5H2,1H3,(H2,11,13)/t7-,8+/m0/s1.
What are the key properties of 1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea?
1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea has a molecular weight of 226.30 g/mol, XLogP of 1.93, 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-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea is sourced from PubChem (CID 18646366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).