N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C11H20F2N2O4S — CID 103769802

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-8(15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17)
InChIKeyIHZWVAKDCQWQIZ-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.07
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 103769802) has the molecular formula C11H20F2N2O4S and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID103769802
Molecular FormulaC11H20F2N2O4S
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-8(15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17)
InChIKeyIHZWVAKDCQWQIZ-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.07
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-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103726188
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)-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 N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 103769802) is N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IHZWVAKDCQWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-8(15)11(17)14-7-9(16)10(12)13/h8-10,16H,2-7H2,1H3,(H,14,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103769802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).