N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide

C12H24N2O2S — CID 119993992

IUPACN-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-5-11-17(15,16)14(10-4-2)12-6-8-13-9-7-12/h3,12-13H,1,4-11H2,2H3
InChIKeyJLSVQGUIWAVXKM-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.36
Rot. Bonds7

About N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide

N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide (PubChem CID 119993992) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
PubChem CID119993992
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-5-11-17(15,16)14(10-4-2)12-6-8-13-9-7-12/h3,12-13H,1,4-11H2,2H3
InChIKeyJLSVQGUIWAVXKM-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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Related Compounds

3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
CID 79673607
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
CID 79672716
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
N-methyl-N-propylbut-3-ene-1-sulfonamide
CID 88853268
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
CID 119993751
N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
CID 118527460

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide (CID 119993992) is N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide is C=CCCS(=O)(=O)N(CCC)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide?
The InChIKey is JLSVQGUIWAVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-5-11-17(15,16)14(10-4-2)12-6-8-13-9-7-12/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide?
N-piperidin-4-yl-N-propylbut-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-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 119993992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).