N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide

C13H28N2O2S — CID 63855870

IUPACN,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCC1CCCCN1
InChIInChI=1S/C13H28N2O2S/c1-12(2)8-11-18(16,17)15(3)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3
InChIKeyBREWZVHDKUVIFI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide

N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide (PubChem CID 63855870) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
PubChem CID63855870
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCC1CCCCN1
InChIInChI=1S/C13H28N2O2S/c1-12(2)8-11-18(16,17)15(3)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3
InChIKeyBREWZVHDKUVIFI-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 62337343
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
N-(dimethylsulfamoyl)-N-methyl-2-piperidin-2-ylethanamine
CID 43210873
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N-methyl-N-(2-methylsulfonylethyl)-2-piperidin-2-ylethanamine
CID 66273209
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide?
The IUPAC name of N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide (CID 63855870) is N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)CCC1CCCCN1.
What is the InChIKey of N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide?
The InChIKey is BREWZVHDKUVIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)8-11-18(16,17)15(3)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide?
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 63855870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).