N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide

C12H26N2O2S — CID 54974040

IUPACN-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCCN(CC)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-10-14(4-2)17(15,16)11-12-6-8-13-9-7-12/h12-13H,3-11H2,1-2H3
InChIKeyZCOXPGCYNISCGE-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds7

About N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide

N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54974040) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
PubChem CID54974040
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCCN(CC)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-10-14(4-2)17(15,16)11-12-6-8-13-9-7-12/h12-13H,3-11H2,1-2H3
InChIKeyZCOXPGCYNISCGE-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
N-(2-bromoethyl)-N-butyl-1-cyclopropylmethanesulfonamide
CID 80669821
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
CID 115024927
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169
4-(heptylsulfonylmethyl)piperidine
CID 82182021
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
N-ethyl-N-(2-methoxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54971951

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide (CID 54974040) is N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide is CCCCN(CC)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is ZCOXPGCYNISCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-5-10-14(4-2)17(15,16)11-12-6-8-13-9-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide?
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54974040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).