4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide

C8H19N3O3S — CID 114813689

IUPAC4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-7-4-10-15(12,13)11-5-2-8(9)3-6-11/h8,10H,2-7,9H2,1H3
InChIKeyHXIXFYSFOIHUGB-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.11
Rot. Bonds5

About 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide

4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide (PubChem CID 114813689) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
PubChem CID114813689
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C8H19N3O3S/c1-14-7-4-10-15(12,13)11-5-2-8(9)3-6-11/h8,10H,2-7,9H2,1H3
InChIKeyHXIXFYSFOIHUGB-UHFFFAOYSA-N
XLogP-1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.11
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide (CID 114813689) is 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide?
The InChIKey is HXIXFYSFOIHUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-14-7-4-10-15(12,13)11-5-2-8(9)3-6-11/h8,10H,2-7,9H2,1H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide?
4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114813689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).