5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C14H24N2O4S — CID 111111607

IUPAC5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCCCC2CCO)o1
InChIInChI=1S/C14H24N2O4S/c1-15(2)21(18,19)14-7-6-13(20-14)11-16-9-4-3-5-12(16)8-10-17/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyLXOPWKKHBXMYOA-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.27
Rot. Bonds6

About 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 111111607) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID111111607
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCCCC2CCO)o1
InChIInChI=1S/C14H24N2O4S/c1-15(2)21(18,19)14-7-6-13(20-14)11-16-9-4-3-5-12(16)8-10-17/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyLXOPWKKHBXMYOA-UHFFFAOYSA-N
XLogP1.27
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 43621061
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 96528122
N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 70752311
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 94139145
[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 50981707
[5-[[(2R)-2-butylpyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 95144576
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
5-[[2-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 112748717

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 111111607) is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCCCC2CCO)o1.
What is the InChIKey of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is LXOPWKKHBXMYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-15(2)21(18,19)14-7-6-13(20-14)11-16-9-4-3-5-12(16)8-10-17/h6-7,12,17H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 111111607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).