trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide

C10H15FN2O3S — CID 86683200

IUPACtrans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(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)/t7-,10-/m1/s1
InChIKeyBNXWASLBTFCMQQ-GMSGAONNSA-N
MW262.31 g/mol
LogP-0.16
Rot. Bonds5

About trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide

trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 86683200) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
PubChem CID86683200
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Nametrans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(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)/t7-,10-/m1/s1
InChIKeyBNXWASLBTFCMQQ-GMSGAONNSA-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 trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide (CID 86683200) is trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(CF)CC1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is BNXWASLBTFCMQQ-GMSGAONNSA-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)/t7-,10-/m1/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide?
trans-(1R,2S)-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 trans-(1R,2S)-1-amino-2-ethenyl-N-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 86683200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).