3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide

C11H20N4O4S — CID 106423465

IUPAC3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)N2CCCC(CO)C2)no1
InChIInChI=1S/C11H20N4O4S/c1-9-13-11(14-19-9)4-5-12-20(17,18)15-6-2-3-10(7-15)8-16/h10,12,16H,2-8H2,1H3
InChIKeyXDLBZXOGLCOYHC-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.54
Rot. Bonds6

About 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide

3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106423465) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106423465
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)N2CCCC(CO)C2)no1
InChIInChI=1S/C11H20N4O4S/c1-9-13-11(14-19-9)4-5-12-20(17,18)15-6-2-3-10(7-15)8-16/h10,12,16H,2-8H2,1H3
InChIKeyXDLBZXOGLCOYHC-UHFFFAOYSA-N
XLogP-0.54
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106410338
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 114185670
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014030
(2R)-N,N-dimethyl-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]sulfonylpropanamide
CID 124829296
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103931536
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517
(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
CID 124875045

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide (CID 106423465) is 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide is Cc1nc(CCNS(=O)(=O)N2CCCC(CO)C2)no1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is XDLBZXOGLCOYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-9-13-11(14-19-9)4-5-12-20(17,18)15-6-2-3-10(7-15)8-16/h10,12,16H,2-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide?
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106423465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).