2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C9H12ClN3O3S — CID 146496011

IUPAC2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCNS(=O)(=O)c1c(Cl)c(C(N)=O)n2c1CCC2
InChIInChI=1S/C9H12ClN3O3S/c1-12-17(15,16)8-5-3-2-4-13(5)7(6(8)10)9(11)14/h12H,2-4H2,1H3,(H2,11,14)
InChIKeyGGHRRFRNVQEHGA-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.09
Rot. Bonds3

About 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide

2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 146496011) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID146496011
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCNS(=O)(=O)c1c(Cl)c(C(N)=O)n2c1CCC2
InChIInChI=1S/C9H12ClN3O3S/c1-12-17(15,16)8-5-3-2-4-13(5)7(6(8)10)9(11)14/h12H,2-4H2,1H3,(H2,11,14)
InChIKeyGGHRRFRNVQEHGA-UHFFFAOYSA-N
XLogP0.09
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 146496011) is 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNS(=O)(=O)c1c(Cl)c(C(N)=O)n2c1CCC2.
What is the InChIKey of 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is GGHRRFRNVQEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-12-17(15,16)8-5-3-2-4-13(5)7(6(8)10)9(11)14/h12H,2-4H2,1H3,(H2,11,14).
What are the key properties of 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(methylsulfamoyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 146496011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).