N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide

C12H24N2O2S — CID 86804950

IUPACN-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-3-4-10-17(15,16)13-12(2)11-14-8-6-5-7-9-14/h3,12-13H,1,4-11H2,2H3
InChIKeyMSOGBSBUPZXEPZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.36
Rot. Bonds7

About N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide

N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide (PubChem CID 86804950) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
PubChem CID86804950
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-3-4-10-17(15,16)13-12(2)11-14-8-6-5-7-9-14/h3,12-13H,1,4-11H2,2H3
InChIKeyMSOGBSBUPZXEPZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.36
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-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide (CID 86804950) is N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NC(C)CN1CCCCC1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide?
The InChIKey is MSOGBSBUPZXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-4-10-17(15,16)13-12(2)11-14-8-6-5-7-9-14/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide?
N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide is sourced from PubChem (CID 86804950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).