N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C10H16F3N3O4S — CID 110292924

IUPACN-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O4S/c1-14-21(19,20)6-4-15-8(17)7-3-2-5-16(7)9(18)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,17)
InChIKeyZIYQBEJBFJMCJI-UHFFFAOYSA-N
MW331.32 g/mol
LogP-0.79
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110292924) has the molecular formula C10H16F3N3O4S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110292924
Molecular FormulaC10H16F3N3O4S
Molecular Weight331.32 g/mol
Exact Mass331.08
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O4S/c1-14-21(19,20)6-4-15-8(17)7-3-2-5-16(7)9(18)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,17)
InChIKeyZIYQBEJBFJMCJI-UHFFFAOYSA-N
XLogP-0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-(3-Trifluoromethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid amide
CID 11336088
(2S)-1-acetyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]pyrrolidine-2-carboxamide
CID 53500657
5-{[(2S)-1-(ethylsulfonyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201475
(2S,4R)-4-amino-N,N-diethyl-1-[(methylsulfonyl)acetyl]pyrrolidine-2-carboxamide
CID 56709986
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
CID 164639979
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
(2S)-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826343
4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826344

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110292924) is N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CNS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ZIYQBEJBFJMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O4S/c1-14-21(19,20)6-4-15-8(17)7-3-2-5-16(7)9(18)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,17).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110292924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).