1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine

C10H17N3O3S — CID 107992574

IUPAC1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
SMILESCC#CC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H17N3O3S/c1-2-4-10(14)13-6-3-5-9(8-13)7-12-17(11,15)16/h9,12H,3,5-8H2,1H3,(H2,11,15,16)
InChIKeyXVRLBTRHRXPVAF-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.96
Rot. Bonds3

About 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine

1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 107992574) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
PubChem CID107992574
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
SMILESCC#CC(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H17N3O3S/c1-2-4-10(14)13-6-3-5-9(8-13)7-12-17(11,15)16/h9,12H,3,5-8H2,1H3,(H2,11,15,16)
InChIKeyXVRLBTRHRXPVAF-UHFFFAOYSA-N
XLogP-0.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.96
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-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62213043
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine (CID 107992574) is 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine is CC#CC(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is XVRLBTRHRXPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-4-10(14)13-6-3-5-9(8-13)7-12-17(11,15)16/h9,12H,3,5-8H2,1H3,(H2,11,15,16).
What are the key properties of 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine?
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 259.33 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 107992574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).