5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide

C13H20N2O5S — CID 43430815

IUPAC5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C13H20N2O5S/c1-14(2)21(18,19)12-6-5-11(20-12)13(17)15-7-3-4-10(8-15)9-16/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAPQQDSHCDOYXSI-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.37
Rot. Bonds4

About 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide

5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 43430815) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID43430815
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C13H20N2O5S/c1-14(2)21(18,19)12-6-5-11(20-12)13(17)15-7-3-4-10(8-15)9-16/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAPQQDSHCDOYXSI-UHFFFAOYSA-N
XLogP0.37
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-dimethylfuran-2-sulfonamide
CID 120815864
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
[4-(ethylsulfanylmethyl)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110900088
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide (CID 43430815) is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is APQQDSHCDOYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-14(2)21(18,19)12-6-5-11(20-12)13(17)15-7-3-4-10(8-15)9-16/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide?
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 43430815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).