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

C12H18N2O5S — CID 112531799

IUPAC5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C12H18N2O5S/c1-13-20(17,18)11-5-4-10(19-11)12(16)14-6-2-3-9(7-14)8-15/h4-5,9,13,15H,2-3,6-8H2,1H3
InChIKeyFSRRCSCENNAYHH-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.03
Rot. Bonds4

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

5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (PubChem CID 112531799) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
PubChem CID112531799
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C12H18N2O5S/c1-13-20(17,18)11-5-4-10(19-11)12(16)14-6-2-3-9(7-14)8-15/h4-5,9,13,15H,2-3,6-8H2,1H3
InChIKeyFSRRCSCENNAYHH-UHFFFAOYSA-N
XLogP0.03
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
CID 43430815
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
(3aS,6aR)-2-[5-(methylsulfamoyl)furan-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682169
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 56803099

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide (CID 112531799) is 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCC(CO)C2)o1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The InChIKey is FSRRCSCENNAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-13-20(17,18)11-5-4-10(19-11)12(16)14-6-2-3-9(7-14)8-15/h4-5,9,13,15H,2-3,6-8H2,1H3.
What are the key properties of 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide?
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide has a molecular weight of 302.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 112531799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).