N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide

C13H28N2O2S — CID 106630591

IUPACN,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)8-10-18(16,17)15(4)11-12-7-5-6-9-14-12/h12,14H,5-11H2,1-4H3
InChIKeyVEUKNDIYAOGQLM-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds5

About N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide

N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide (PubChem CID 106630591) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
PubChem CID106630591
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)8-10-18(16,17)15(4)11-12-7-5-6-9-14-12/h12,14H,5-11H2,1-4H3
InChIKeyVEUKNDIYAOGQLM-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 62337343
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
CID 106630525
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 55009152
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide (CID 106630591) is N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide is CN(CC1CCCCN1)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is VEUKNDIYAOGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2,3)8-10-18(16,17)15(4)11-12-7-5-6-9-14-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106630591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).