N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide

C11H23N3O3S — CID 119649940

IUPACN-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCCC1CNC
InChIInChI=1S/C11H23N3O3S/c1-4-18(16,17)13(3)9-11(15)14-7-5-6-10(14)8-12-2/h10,12H,4-9H2,1-3H3
InChIKeyBGUSSQZALSTUDY-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.52
Rot. Bonds6

About N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide

N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide (PubChem CID 119649940) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide
PubChem CID119649940
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCCC1CNC
InChIInChI=1S/C11H23N3O3S/c1-4-18(16,17)13(3)9-11(15)14-7-5-6-10(14)8-12-2/h10,12H,4-9H2,1-3H3
InChIKeyBGUSSQZALSTUDY-UHFFFAOYSA-N
XLogP-0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 119650584
1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119355518
(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 119651064
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 119649061
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one
CID 90880652
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide (CID 119649940) is N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)N(C)CC(=O)N1CCCC1CNC.
What is the InChIKey of N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide?
The InChIKey is BGUSSQZALSTUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-18(16,17)13(3)9-11(15)14-7-5-6-10(14)8-12-2/h10,12H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide?
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 119649940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).