trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

C13H16N2O3S — CID 89298424

IUPACtrans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H16N2O3S/c1-3-10-8-13(10,4-2)12(16)15-19(17,18)11-6-5-7-14-9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16)/t10-,13+/m1/s1
InChIKeyCMXWBWWTGQZOJZ-MFKMUULPSA-N
MW280.35 g/mol
LogP1.49
Rot. Bonds5

About trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 89298424) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
PubChem CID89298424
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Nametrans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H16N2O3S/c1-3-10-8-13(10,4-2)12(16)15-19(17,18)11-6-5-7-14-9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16)/t10-,13+/m1/s1
InChIKeyCMXWBWWTGQZOJZ-MFKMUULPSA-N
XLogP1.49
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 96523094
N-propylpyridine-3-sulfonamide
CID 43258995
cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 59009648
(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 166268743
ethyl pyridine-3-sulfonate
CID 156789856
3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
CID 91643668
(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
2-(4-methoxyphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 75415184

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (CID 89298424) is trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is CMXWBWWTGQZOJZ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-10-8-13(10,4-2)12(16)15-19(17,18)11-6-5-7-14-9-11/h3,5-7,9-10H,1,4,8H2,2H3,(H,15,16)/t10-,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
trans-(1S,2S)-2-ethenyl-1-ethyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 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-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 89298424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).