N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride

C8H15ClF2N2O3S — CID 118073717

IUPACN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1(F)F.Cl
InChIInChI=1S/C8H14F2N2O3S.ClH/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10;/h6,11H,2-5H2,1H3,(H,12,13);1H
InChIKeyWPOSWYDPVUVKAC-UHFFFAOYSA-N
MW292.74 g/mol
LogP-0.43
Rot. Bonds4

About N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride

N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride (PubChem CID 118073717) has the molecular formula C8H15ClF2N2O3S and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride
PubChem CID118073717
Molecular FormulaC8H15ClF2N2O3S
Molecular Weight292.74 g/mol
Exact Mass292.05
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1(F)F.Cl
InChIInChI=1S/C8H14F2N2O3S.ClH/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10;/h6,11H,2-5H2,1H3,(H,12,13);1H
InChIKeyWPOSWYDPVUVKAC-UHFFFAOYSA-N
XLogP-0.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
N-((3R,4R)-4-fluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide
CID 118073579
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 118073581
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
3-Fluoro-4-(3-methylsulfonylpropanoylamino)pyrrolidine-1-carboxylic acid
CID 118073725
3,3-Difluoro-4-(3-methylsulfonylpropanoylamino)pyrrolidine-1-carboxylic acid
CID 118095390
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-3-methanesulfonylpropanamide
CID 123845326
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236375
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236376
N-[(3R)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 135128777

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride (CID 118073717) is N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride is CS(=O)(=O)CCC(=O)NC1CNCC1(F)F.Cl.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride?
The InChIKey is WPOSWYDPVUVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3S.ClH/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10;/h6,11H,2-5H2,1H3,(H,12,13);1H.
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride?
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride has a molecular weight of 292.74 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 118073717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).