4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide

C11H24FN3O2S — CID 114267244

IUPAC4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCCCF)CC1
InChIInChI=1S/C11H24FN3O2S/c1-2-13-10-11-4-8-15(9-5-11)18(16,17)14-7-3-6-12/h11,13-14H,2-10H2,1H3
InChIKeyIMGYGOTVOFHXPO-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.50
Rot. Bonds8

About 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide

4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide (PubChem CID 114267244) has the molecular formula C11H24FN3O2S and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide
PubChem CID114267244
Molecular FormulaC11H24FN3O2S
Molecular Weight281.40 g/mol
Exact Mass281.16
IUPAC Name4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCCCF)CC1
InChIInChI=1S/C11H24FN3O2S/c1-2-13-10-11-4-8-15(9-5-11)18(16,17)14-7-3-6-12/h11,13-14H,2-10H2,1H3
InChIKeyIMGYGOTVOFHXPO-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide (CID 114267244) is 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)NCCCF)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide?
The InChIKey is IMGYGOTVOFHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FN3O2S/c1-2-13-10-11-4-8-15(9-5-11)18(16,17)14-7-3-6-12/h11,13-14H,2-10H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide?
4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide has a molecular weight of 281.40 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-fluoropropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114267244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).