N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide

C15H27F2N3O3S — CID 49073201

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H27F2N3O3S/c1-2-10-24(22,23)20-7-3-4-13(20)15(21)18-12-5-8-19(9-6-12)11-14(16)17/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyFWXLMCZZFGGVAC-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.04
Rot. Bonds7

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 49073201) has the molecular formula C15H27F2N3O3S and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID49073201
Molecular FormulaC15H27F2N3O3S
Molecular Weight367.46 g/mol
Exact Mass367.17
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H27F2N3O3S/c1-2-10-24(22,23)20-7-3-4-13(20)15(21)18-12-5-8-19(9-6-12)11-14(16)17/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyFWXLMCZZFGGVAC-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45819153
5-{[(2S)-1-(ethylsulfonyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201475
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 121561913
(2S,4S)-4-fluoro-1-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 9865543
(2S)-4,4-difluoro-1-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 9969916
4,4-Difluoro-1-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 21090328
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
(2S)-4,4-difluoro-1-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 69371969
4,4-Difluoro-1-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 69371973
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 49073201) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FWXLMCZZFGGVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O3S/c1-2-10-24(22,23)20-7-3-4-13(20)15(21)18-12-5-8-19(9-6-12)11-14(16)17/h12-14H,2-11H2,1H3,(H,18,21).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 49073201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).