N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide

C10H20N2O2S — CID 124681889

IUPACN-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-7-15(13,14)12-9-10-5-4-6-11-8-10/h2,10-12H,1,3-9H2/t10-/m0/s1
InChIKeyFJTMSDZFRAOZPJ-JTQLQIEISA-N
MW232.35 g/mol
LogP0.48
Rot. Bonds6

About N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide

N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide (PubChem CID 124681889) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
PubChem CID124681889
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O2S/c1-2-3-7-15(13,14)12-9-10-5-4-6-11-8-10/h2,10-12H,1,3-9H2/t10-/m0/s1
InChIKeyFJTMSDZFRAOZPJ-JTQLQIEISA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.48
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-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
CID 119979538
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 119968659
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide (CID 124681889) is N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NC[C@H]1CCCNC1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide?
The InChIKey is FJTMSDZFRAOZPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-3-7-15(13,14)12-9-10-5-4-6-11-8-10/h2,10-12H,1,3-9H2/t10-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide?
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 124681889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).