N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H16F3N3O3S — CID 63708620

IUPACN-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c10-9(11,12)8(2-4-14-6-8)7(16)15-3-1-5-19(13,17)18/h14H,1-6H2,(H,15,16)(H2,13,17,18)
InChIKeyIMFMRBVGPMKIQN-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.68
Rot. Bonds5

About N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708620) has the molecular formula C9H16F3N3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708620
Molecular FormulaC9H16F3N3O3S
Molecular Weight303.31 g/mol
Exact Mass303.09
IUPAC NameN-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c10-9(11,12)8(2-4-14-6-8)7(16)15-3-1-5-19(13,17)18/h14H,1-6H2,(H,15,16)(H2,13,17,18)
InChIKeyIMFMRBVGPMKIQN-UHFFFAOYSA-N
XLogP-0.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708620) is N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is NS(=O)(=O)CCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is IMFMRBVGPMKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3S/c10-9(11,12)8(2-4-14-6-8)7(16)15-3-1-5-19(13,17)18/h14H,1-6H2,(H,15,16)(H2,13,17,18).
What are the key properties of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).