(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide

C10H20N2O3S — CID 165465950

IUPAC(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCCCC(=O)N1CC(C)C(CS(N)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-4-10(13)12-5-8(2)9(6-12)7-16(11,14)15/h8-9H,3-7H2,1-2H3,(H2,11,14,15)
InChIKeyUNUJLYAMZWLUOD-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.17
Rot. Bonds4

About (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide

(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 165465950) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide
PubChem CID165465950
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCCCC(=O)N1CC(C)C(CS(N)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-4-10(13)12-5-8(2)9(6-12)7-16(11,14)15/h8-9H,3-7H2,1-2H3,(H2,11,14,15)
InChIKeyUNUJLYAMZWLUOD-UHFFFAOYSA-N
XLogP0.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
CID 95049046
[(3S,4S)-1-[2-(1-ethylpyrazol-4-yl)acetyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
CID 138024954
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
3-chloro-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79183317
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
CID 103575919
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
2-chloro-1-[(3R,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 129497533
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598

Frequently Asked Questions

What is the IUPAC name of (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide (CID 165465950) is (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide is CCCC(=O)N1CC(C)C(CS(N)(=O)=O)C1.
What is the InChIKey of (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is UNUJLYAMZWLUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-4-10(13)12-5-8(2)9(6-12)7-16(11,14)15/h8-9H,3-7H2,1-2H3,(H2,11,14,15).
What are the key properties of (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide?
(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 165465950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).