N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide

C12H27N3O2S — CID 63700740

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C12H27N3O2S/c1-14(2)9-10-15(3)18(16,17)11-7-12-6-4-5-8-13-12/h12-13H,4-11H2,1-3H3
InChIKeyVPULAPCWGCUJME-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.34
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide

N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide (PubChem CID 63700740) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
PubChem CID63700740
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C12H27N3O2S/c1-14(2)9-10-15(3)18(16,17)11-7-12-6-4-5-8-13-12/h12-13H,4-11H2,1-3H3
InChIKeyVPULAPCWGCUJME-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 62337343
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N-(dimethylsulfamoyl)-N-methyl-2-piperidin-2-ylethanamine
CID 43210873
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 55009152
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N,N-dimethyl-4-piperidin-2-ylbutan-1-amine
CID 15057317

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide (CID 63700740) is N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide is CN(C)CCN(C)S(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide?
The InChIKey is VPULAPCWGCUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-14(2)9-10-15(3)18(16,17)11-7-12-6-4-5-8-13-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 63700740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).