(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H13F3N2O3S — CID 120913801

IUPAC(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)7-4-14(3-6(7)8(13)15)18(16,17)5-1-2-5/h5-7H,1-4H2,(H2,13,15)/t6-,7-/m1/s1
InChIKeyFREPXKATYXNCGQ-RNFRBKRXSA-N
MW286.28 g/mol
LogP0.07
Rot. Bonds3

About (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120913801) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.28 g/mol. Its IUPAC name is (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120913801
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.28 g/mol
Exact Mass286.06
IUPAC Name(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)7-4-14(3-6(7)8(13)15)18(16,17)5-1-2-5/h5-7H,1-4H2,(H2,13,15)/t6-,7-/m1/s1
InChIKeyFREPXKATYXNCGQ-RNFRBKRXSA-N
XLogP0.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 164633683
1-(2,2,2-Trifluoroethylsulfonyl)pyrrolidine-3-carboxamide
CID 175836971
N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103306790
N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103307806
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103308296
N-propylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113800883
(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120913802
(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950575
N-ethylsulfonyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 136539371
N-(Cyclopropanesulfonyl)pyrrolidine-3-carboxamide
CID 103308539
1-Cyclopropylsulfonylpyrrolidine-3-carboxamide
CID 143708980
(3R)-N-cyclopropylsulfonylpyrrolidine-3-carboxamide
CID 170387130

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120913801) is (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FREPXKATYXNCGQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c10-9(11,12)7-4-14(3-6(7)8(13)15)18(16,17)5-1-2-5/h5-7H,1-4H2,(H2,13,15)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclopropylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120913801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).