1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide

C10H15FN2O3S — CID 90117650

IUPAC1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
SMILESC=CC1CC1(N)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C10H15FN2O3S/c1-2-7-5-10(7,12)8(14)13-17(15,16)9(6-11)3-4-9/h2,7H,1,3-6,12H2,(H,13,14)
InChIKeyBNXWASLBTFCMQQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide

1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 90117650) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
PubChem CID90117650
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
SMILESC=CC1CC1(N)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C10H15FN2O3S/c1-2-7-5-10(7,12)8(14)13-17(15,16)9(6-11)3-4-9/h2,7H,1,3-6,12H2,(H,13,14)
InChIKeyBNXWASLBTFCMQQ-UHFFFAOYSA-N
XLogP-0.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide (CID 90117650) is 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide is C=CC1CC1(N)C(=O)NS(=O)(=O)C1(CF)CC1.
What is the InChIKey of 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is BNXWASLBTFCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-2-7-5-10(7,12)8(14)13-17(15,16)9(6-11)3-4-9/h2,7H,1,3-6,12H2,(H,13,14).
What are the key properties of 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 90117650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).