2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide

C11H24N2O4S — CID 114134652

IUPAC2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H24N2O4S/c1-17-9-5-3-7-12-18(15,16)13-8-4-2-6-11(13)10-14/h11-12,14H,2-10H2,1H3
InChIKeyKOXGASSKWUTJRF-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.09
Rot. Bonds8

About 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide

2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide (PubChem CID 114134652) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
PubChem CID114134652
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H24N2O4S/c1-17-9-5-3-7-12-18(15,16)13-8-4-2-6-11(13)10-14/h11-12,14H,2-10H2,1H3
InChIKeyKOXGASSKWUTJRF-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide (CID 114134652) is 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide is COCCCCNS(=O)(=O)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The InChIKey is KOXGASSKWUTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-17-9-5-3-7-12-18(15,16)13-8-4-2-6-11(13)10-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide?
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114134652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).