trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide

C5H7N3O3S — CID 165469579

IUPACtrans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide
SMILESN#C[C@@]1(C(N)=O)C[C@H]1S(N)(=O)=O
InChIInChI=1S/C5H7N3O3S/c6-2-5(4(7)9)1-3(5)12(8,10)11/h3H,1H2,(H2,7,9)(H2,8,10,11)/t3-,5+/m1/s1
InChIKeyYRSZSCAMQXVEHA-WUJLRWPWSA-N
MW189.20 g/mol
LogP-1.96
Rot. Bonds2

About trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide

trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide (PubChem CID 165469579) has the molecular formula C5H7N3O3S and a molecular weight of 189.20 g/mol. Its IUPAC name is trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide
PubChem CID165469579
Molecular FormulaC5H7N3O3S
Molecular Weight189.20 g/mol
Exact Mass189.02
IUPAC Nametrans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide
SMILESN#C[C@@]1(C(N)=O)C[C@H]1S(N)(=O)=O
InChIInChI=1S/C5H7N3O3S/c6-2-5(4(7)9)1-3(5)12(8,10)11/h3H,1H2,(H2,7,9)(H2,8,10,11)/t3-,5+/m1/s1
InChIKeyYRSZSCAMQXVEHA-WUJLRWPWSA-N
XLogP-1.96
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide (CID 165469579) is trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide is N#C[C@@]1(C(N)=O)C[C@H]1S(N)(=O)=O.
What is the InChIKey of trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide?
The InChIKey is YRSZSCAMQXVEHA-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H7N3O3S/c6-2-5(4(7)9)1-3(5)12(8,10)11/h3H,1H2,(H2,7,9)(H2,8,10,11)/t3-,5+/m1/s1.
What are the key properties of trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide?
trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of -1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-cyano-2-sulfamoylcyclopropane-1-carboxamide is sourced from PubChem (CID 165469579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).