N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide

C11H22N2O2S — CID 119979538

IUPACN-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C11H22N2O2S/c1-2-3-9-16(14,15)13-8-6-11-5-4-7-12-10-11/h2,11-13H,1,3-10H2
InChIKeyWWVBNJQKORFRSG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.87
Rot. Bonds7

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

N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide (PubChem CID 119979538) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
PubChem CID119979538
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C11H22N2O2S/c1-2-3-9-16(14,15)13-8-6-11-5-4-7-12-10-11/h2,11-13H,1,3-10H2
InChIKeyWWVBNJQKORFRSG-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
CID 63629231
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide (CID 119979538) is N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide?
The InChIKey is WWVBNJQKORFRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-3-9-16(14,15)13-8-6-11-5-4-7-12-10-11/h2,11-13H,1,3-10H2.
What are the key properties of N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide?
N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide is sourced from PubChem (CID 119979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).