trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide

C6H11N3O3S — CID 70328998

IUPACtrans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(N)(=O)=O
InChIInChI=1S/C6H11N3O3S/c1-2-4-3-6(4,7)5(10)9-13(8,11)12/h2,4H,1,3,7H2,(H,9,10)(H2,8,11,12)/t4-,6-/m1/s1
InChIKeyWVGWGBKCIWFUIB-INEUFUBQSA-N
MW205.24 g/mol
LogP-1.79
Rot. Bonds3

About trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide

trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide (PubChem CID 70328998) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide
PubChem CID70328998
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Nametrans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@]1(N)C(=O)NS(N)(=O)=O
InChIInChI=1S/C6H11N3O3S/c1-2-4-3-6(4,7)5(10)9-13(8,11)12/h2,4H,1,3,7H2,(H,9,10)(H2,8,11,12)/t4-,6-/m1/s1
InChIKeyWVGWGBKCIWFUIB-INEUFUBQSA-N
XLogP-1.79
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
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-sulfamoylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide (CID 70328998) is trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@]1(N)C(=O)NS(N)(=O)=O.
What is the InChIKey of trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide?
The InChIKey is WVGWGBKCIWFUIB-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-2-4-3-6(4,7)5(10)9-13(8,11)12/h2,4H,1,3,7H2,(H,9,10)(H2,8,11,12)/t4-,6-/m1/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-amino-2-ethenyl-N-sulfamoylcyclopropane-1-carboxamide has a molecular weight of 205.24 g/mol, XLogP of -1.79, 3 rotatable bonds, 3 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-sulfamoylcyclopropane-1-carboxamide is sourced from PubChem (CID 70328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).