N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide

C11H19N3O3S — CID 167928795

IUPACN-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC#CCNC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C11H19N3O3S/c1-2-3-6-13-11(15)14-7-4-10(5-8-14)9-18(12,16)17/h10H,4-9H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyWJUQXLPQXJTCJU-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.28
Rot. Bonds3

About N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide

N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 167928795) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID167928795
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC#CCNC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C11H19N3O3S/c1-2-3-6-13-11(15)14-7-4-10(5-8-14)9-18(12,16)17/h10H,4-9H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyWJUQXLPQXJTCJU-UHFFFAOYSA-N
XLogP-0.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
N-(3-methylcyclopentyl)-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119040378
N-[(1R,3R)-3-methylcyclopentyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100727256
N,4-diethylazepane-1-carboxamide
CID 89043568
N-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide
CID 128853844
N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 124726941
but-2-ynyl 4-ethylpiperidine-1-carboxylate
CID 70798628
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100728242
[1-[(2S)-2-butylsulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 95338369

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide (CID 167928795) is N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide is CC#CCNC(=O)N1CCC(CS(N)(=O)=O)CC1.
What is the InChIKey of N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is WJUQXLPQXJTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-3-6-13-11(15)14-7-4-10(5-8-14)9-18(12,16)17/h10H,4-9H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide?
N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 167928795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).