5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C13H22N2O4S — CID 110899350

IUPAC5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCC(CO)CC2)o1
InChIInChI=1S/C13H22N2O4S/c1-14(2)20(17,18)13-4-3-12(19-13)9-15-7-5-11(10-16)6-8-15/h3-4,11,16H,5-10H2,1-2H3
InChIKeyYBZFYSROSKUWHA-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds5

About 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 110899350) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID110899350
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCC(CO)CC2)o1
InChIInChI=1S/C13H22N2O4S/c1-14(2)20(17,18)13-4-3-12(19-13)9-15-7-5-11(10-16)6-8-15/h3-4,11,16H,5-10H2,1-2H3
InChIKeyYBZFYSROSKUWHA-UHFFFAOYSA-N
XLogP0.73
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
5-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 94139145
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
CID 43430815
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55853518
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
CID 136563223
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 86776822

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 110899350) is 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCC(CO)CC2)o1.
What is the InChIKey of 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is YBZFYSROSKUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-14(2)20(17,18)13-4-3-12(19-13)9-15-7-5-11(10-16)6-8-15/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 110899350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).