1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone

C11H22N2O3S — CID 119649061

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCNCC1CCCN1C(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-9(2)17(15,16)8-11(14)13-6-4-5-10(13)7-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeySBWWOBHURAZROD-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds5

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone (PubChem CID 119649061) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
PubChem CID119649061
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCNCC1CCCN1C(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-9(2)17(15,16)8-11(14)13-6-4-5-10(13)7-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeySBWWOBHURAZROD-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 84706589
3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
CID 119651206
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 119650584
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119649940
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
2-[(4-bromophenyl)methylsulfonyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119651498
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone (CID 119649061) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone is CNCC1CCCN1C(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The InChIKey is SBWWOBHURAZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)17(15,16)8-11(14)13-6-4-5-10(13)7-12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone has a molecular weight of 262.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 119649061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).