3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide

C10H18F2N2O3S — CID 136536125

IUPAC3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(F)(F)CC(=O)NCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18F2N2O3S/c1-10(11,12)5-9(15)13-6-8-3-4-14(7-8)18(2,16)17/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyCCUOXQXFJSNLTG-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.43
Rot. Bonds5

About 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide

3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 136536125) has the molecular formula C10H18F2N2O3S and a molecular weight of 284.33 g/mol. Its IUPAC name is 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide
PubChem CID136536125
Molecular FormulaC10H18F2N2O3S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Name3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(F)(F)CC(=O)NCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H18F2N2O3S/c1-10(11,12)5-9(15)13-6-8-3-4-14(7-8)18(2,16)17/h8H,3-7H2,1-2H3,(H,13,15)
InChIKeyCCUOXQXFJSNLTG-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide (CID 136536125) is 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide is CC(F)(F)CC(=O)NCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is CCUOXQXFJSNLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3S/c1-10(11,12)5-9(15)13-6-8-3-4-14(7-8)18(2,16)17/h8H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide?
3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 284.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 136536125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).