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

C9H13F3N2O3S — CID 103308296

IUPACN-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)8(3-4-13-5-8)7(15)14-18(16,17)6-1-2-6/h6,13H,1-5H2,(H,14,15)
InChIKeySPMUJTLFQLOPMY-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.14
Rot. Bonds3

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

N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 103308296) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.28 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID103308296
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.28 g/mol
Exact Mass286.06
IUPAC NameN-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)8(3-4-13-5-8)7(15)14-18(16,17)6-1-2-6/h6,13H,1-5H2,(H,14,15)
InChIKeySPMUJTLFQLOPMY-UHFFFAOYSA-N
XLogP0.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708403
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 103308296) is N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NS(=O)(=O)C1CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SPMUJTLFQLOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c10-9(11,12)8(3-4-13-5-8)7(15)14-18(16,17)6-1-2-6/h6,13H,1-5H2,(H,14,15).
What are the key properties of N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103308296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).