N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide

C13H26N2O2S — CID 75382837

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O2S/c1-4-5-8-18(16,17)14-6-7-15-10-12(2)9-13(3)11-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyDCSWPSAVGQNHEX-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide (PubChem CID 75382837) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide
PubChem CID75382837
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O2S/c1-4-5-8-18(16,17)14-6-7-15-10-12(2)9-13(3)11-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyDCSWPSAVGQNHEX-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide (CID 75382837) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCCN1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide?
The InChIKey is DCSWPSAVGQNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-5-8-18(16,17)14-6-7-15-10-12(2)9-13(3)11-15/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 75382837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).