(1-propanoylpyrrolidin-2-yl)methanesulfonamide

C8H16N2O3S — CID 174111492

IUPAC(1-propanoylpyrrolidin-2-yl)methanesulfonamide
SMILESCCC(=O)N1CCCC1CS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-2-8(11)10-5-3-4-7(10)6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyOJEIUVKXQKORIE-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.32
Rot. Bonds3

About (1-propanoylpyrrolidin-2-yl)methanesulfonamide

(1-propanoylpyrrolidin-2-yl)methanesulfonamide (PubChem CID 174111492) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (1-propanoylpyrrolidin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-propanoylpyrrolidin-2-yl)methanesulfonamide
PubChem CID174111492
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(1-propanoylpyrrolidin-2-yl)methanesulfonamide
SMILESCCC(=O)N1CCCC1CS(N)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-2-8(11)10-5-3-4-7(10)6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyOJEIUVKXQKORIE-UHFFFAOYSA-N
XLogP-0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[1-(thiomorpholine-4-carbonyl)piperidin-2-yl]methanesulfonamide
CID 126835128

Frequently Asked Questions

What is the IUPAC name of (1-propanoylpyrrolidin-2-yl)methanesulfonamide?
The IUPAC name of (1-propanoylpyrrolidin-2-yl)methanesulfonamide (CID 174111492) is (1-propanoylpyrrolidin-2-yl)methanesulfonamide.
What is the SMILES notation for (1-propanoylpyrrolidin-2-yl)methanesulfonamide?
The canonical SMILES for (1-propanoylpyrrolidin-2-yl)methanesulfonamide is CCC(=O)N1CCCC1CS(N)(=O)=O.
What is the InChIKey of (1-propanoylpyrrolidin-2-yl)methanesulfonamide?
The InChIKey is OJEIUVKXQKORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-8(11)10-5-3-4-7(10)6-14(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of (1-propanoylpyrrolidin-2-yl)methanesulfonamide?
(1-propanoylpyrrolidin-2-yl)methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propanoylpyrrolidin-2-yl)methanesulfonamide is sourced from PubChem (CID 174111492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).