3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C11H18N4O4S2 — CID 132971429

IUPAC3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)Nc2ncc(OC)s2)C1
InChIInChI=1S/C11H18N4O4S2/c1-3-13-21(17,18)8-4-5-15(7-8)11(16)14-10-12-6-9(19-2)20-10/h6,8,13H,3-5,7H2,1-2H3,(H,12,14,16)
InChIKeySMBFRXFNWNKGON-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.70
Rot. Bonds5

About 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 132971429) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID132971429
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)Nc2ncc(OC)s2)C1
InChIInChI=1S/C11H18N4O4S2/c1-3-13-21(17,18)8-4-5-15(7-8)11(16)14-10-12-6-9(19-2)20-10/h6,8,13H,3-5,7H2,1-2H3,(H,12,14,16)
InChIKeySMBFRXFNWNKGON-UHFFFAOYSA-N
XLogP0.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 132971429) is 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is CCNS(=O)(=O)C1CCN(C(=O)Nc2ncc(OC)s2)C1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is SMBFRXFNWNKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-3-13-21(17,18)8-4-5-15(7-8)11(16)14-10-12-6-9(19-2)20-10/h6,8,13H,3-5,7H2,1-2H3,(H,12,14,16).
What are the key properties of 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(5-methoxy-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 132971429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).