1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide

C11H19F3N2O4S — CID 103726188

IUPAC1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O4S/c1-2-6-21(19,20)16-5-3-4-8(16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeySYPXOKBSYFWCJV-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.23
Rot. Bonds6

About 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide

1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 103726188) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID103726188
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O4S/c1-2-6-21(19,20)16-5-3-4-8(16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeySYPXOKBSYFWCJV-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propylsulfonyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-2-carboxamide
CID 56155116
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 75413891
(2R)-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95266310
(2S)-1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95266311
1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-2-carboxamide
CID 103723153
1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103726369
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103755800
2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755834
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 103769802
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 103769932
N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 103770106

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide (CID 103726188) is 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is SYPXOKBSYFWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-2-6-21(19,20)16-5-3-4-8(16)10(18)15-7-9(17)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103726188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).