[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid

C11H15FN2O5S — CID 89156498

IUPAC[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid
SMILESC=C[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C11H15FN2O5S/c1-2-7-5-11(7,13-9(16)17)8(15)14-20(18,19)10(6-12)3-4-10/h2,7,13H,1,3-6H2,(H,14,15)(H,16,17)/t7-,11-/m1/s1
InChIKeyZOGWSVJIAWBRFS-RDDDGLTNSA-N
MW306.32 g/mol
LogP0.15
Rot. Bonds6

About [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid

[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid (PubChem CID 89156498) has the molecular formula C11H15FN2O5S and a molecular weight of 306.32 g/mol. Its IUPAC name is [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid
PubChem CID89156498
Molecular FormulaC11H15FN2O5S
Molecular Weight306.32 g/mol
Exact Mass306.07
IUPAC Name[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid
SMILESC=C[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C11H15FN2O5S/c1-2-7-5-11(7,13-9(16)17)8(15)14-20(18,19)10(6-12)3-4-10/h2,7,13H,1,3-6H2,(H,14,15)(H,16,17)/t7-,11-/m1/s1
InChIKeyZOGWSVJIAWBRFS-RDDDGLTNSA-N
XLogP0.15
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
CID 86683200
[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamic acid;hydrochloride
CID 67068429
tert-butyl 2-[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]acetate
CID 146732242
butyl N-[(2S,3R)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3,5-dimethyl-1-oxonon-8-en-2-yl]carbamate
CID 131743952
methyl 12-[1-[[(1R,2S)-1-amino-2-ethenylcyclopropanecarbonyl]sulfamoyl]cyclopropyl]dodecanoate;methyl 12-[1-[[(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropanecarbonyl]sulfamoyl]cyclopropyl]dodecanoate
CID 158549482
tert-butyl N-[(1R,2S)-2-ethenyl-1-[[ethyl(methyl)sulfamoyl]carbamoyl]cyclopropyl]carbamate
CID 59386553
N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 23595529
[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
CID 66896767
1-acetamido-2-but-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 123720265
[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
CID 89156337
1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 59493438
[(2S,3S)-1-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-1-oxo-3-pent-4-enoxypentan-2-yl]carbamic acid
CID 90117926

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid?
The IUPAC name of [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid (CID 89156498) is [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid is C=C[C@@H]1C[C@]1(NC(=O)O)C(=O)NS(=O)(=O)C1(CF)CC1.
What is the InChIKey of [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid?
The InChIKey is ZOGWSVJIAWBRFS-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H15FN2O5S/c1-2-7-5-11(7,13-9(16)17)8(15)14-20(18,19)10(6-12)3-4-10/h2,7,13H,1,3-6H2,(H,14,15)(H,16,17)/t7-,11-/m1/s1.
What are the key properties of [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid?
[(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid has a molecular weight of 306.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-ethenyl-1-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 89156498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).