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

C11H19N3O4S — CID 106377863

IUPAC2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)N2CCCCC2CO)o1
InChIInChI=1S/C11H19N3O4S/c1-9-6-12-11(18-9)7-13-19(16,17)14-5-3-2-4-10(14)8-15/h6,10,13,15H,2-5,7-8H2,1H3
InChIKeyAECARLQXRJWUKZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.16
Rot. Bonds5

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

2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106377863) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID106377863
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)N2CCCCC2CO)o1
InChIInChI=1S/C11H19N3O4S/c1-9-6-12-11(18-9)7-13-19(16,17)14-5-3-2-4-10(14)8-15/h6,10,13,15H,2-5,7-8H2,1H3
InChIKeyAECARLQXRJWUKZ-UHFFFAOYSA-N
XLogP0.16
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423550
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106085863
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide (CID 106377863) is 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide is Cc1cnc(CNS(=O)(=O)N2CCCCC2CO)o1.
What is the InChIKey of 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is AECARLQXRJWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-9-6-12-11(18-9)7-13-19(16,17)14-5-3-2-4-10(14)8-15/h6,10,13,15H,2-5,7-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106377863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).