N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C14H22F3N3O4S — CID 110287582

IUPACN-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-9-4-5-11(20)12(21)18-6-10-25(23,24)19-7-2-1-3-8-19/h11H,1-10H2,(H,18,21)
InChIKeyJCQZLTHFUGRCHT-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.47
Rot. Bonds5

About N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110287582) has the molecular formula C14H22F3N3O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110287582
Molecular FormulaC14H22F3N3O4S
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC NameN-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-9-4-5-11(20)12(21)18-6-10-25(23,24)19-7-2-1-3-8-19/h11H,1-10H2,(H,18,21)
InChIKeyJCQZLTHFUGRCHT-UHFFFAOYSA-N
XLogP0.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 121561913
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 22732195
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(2S)-6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl]-4-(2,2,2-trifluoroethylsulfonylamino)butanamide
CID 54047484
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 69891264
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
N-[(5S)-5-amino-6-oxo-6-pyrrolidin-1-ylhexyl]-4-(2,2,2-trifluoroethylsulfonylamino)butanamide
CID 90768027
N-[[(2S)-1-[(3S)-3-amino-4-(5,5-difluoro-2-oxopiperidin-1-yl)butyl]pyrrolidin-2-yl]methyl]methanesulfonamide
CID 142695645
[4,4-Difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
CID 170590204
2-[[1-(2,2-Difluoropropyl)pyrrolidine-2-carbonyl]amino]-1,1-difluoroethanesulfonic acid
CID 174135361
1,1,2,2,3,3-Hexafluoro-4-[[1-(2,2,3,3,4,4-hexafluoropentyl)pyrrolidine-2-carbonyl]amino]butane-1-sulfonic acid
CID 174135362
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 49070529

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110287582) is N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCCS(=O)(=O)N1CCCCC1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JCQZLTHFUGRCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)20-9-4-5-11(20)12(21)18-6-10-25(23,24)19-7-2-1-3-8-19/h11H,1-10H2,(H,18,21).
What are the key properties of N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110287582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).