N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide

C13H26N2O3S — CID 102675737

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(CCO)C2CCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-8-12(2)10-14(9-11)19(17,18)15(6-7-16)13-4-3-5-13/h11-13,16H,3-10H2,1-2H3
InChIKeyYSMRMXYGEURPAZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.06
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide

N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 102675737) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID102675737
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(CCO)C2CCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-8-12(2)10-14(9-11)19(17,18)15(6-7-16)13-4-3-5-13/h11-13,16H,3-10H2,1-2H3
InChIKeyYSMRMXYGEURPAZ-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 63396683
N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106610223
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106599585
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
N-[2-(hydroxymethyl)cyclopentyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103836020
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
N-cyclobutyl-N-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 102675892
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 62015648

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide (CID 102675737) is N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)N(CCO)C2CCC2)C1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is YSMRMXYGEURPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-8-12(2)10-14(9-11)19(17,18)15(6-7-16)13-4-3-5-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 102675737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).