N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide

C9H20N2O3S — CID 47025248

IUPACN-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3
InChIKeyOCVMRCZNSQMEFB-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.20
Rot. Bonds5

About N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide

N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 47025248) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
PubChem CID47025248
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3
InChIKeyOCVMRCZNSQMEFB-UHFFFAOYSA-N
XLogP0.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide (CID 47025248) is N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is OCVMRCZNSQMEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 47025248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).