trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide

C15H20N2O3S — CID 89298427

IUPACtrans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1ccccc1NC
InChIInChI=1S/C15H20N2O3S/c1-4-11-10-15(11,5-2)14(18)17-21(19,20)13-9-7-6-8-12(13)16-3/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
InChIKeyRCTAGRMKAAGJIE-ABAIWWIYSA-N
MW308.40 g/mol
LogP2.14
Rot. Bonds6

About trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide

trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 89298427) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide
PubChem CID89298427
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Nametrans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1ccccc1NC
InChIInChI=1S/C15H20N2O3S/c1-4-11-10-15(11,5-2)14(18)17-21(19,20)13-9-7-6-8-12(13)16-3/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
InChIKeyRCTAGRMKAAGJIE-ABAIWWIYSA-N
XLogP2.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.14
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-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide (CID 89298427) is trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1ccccc1NC.
What is the InChIKey of trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is RCTAGRMKAAGJIE-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-11-10-15(11,5-2)14(18)17-21(19,20)13-9-7-6-8-12(13)16-3/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,17,18)/t11-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide?
trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 89298427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).