N-hex-1-yn-3-ylpiperazine-1-sulfonamide

C10H19N3O2S — CID 106231115

IUPACN-hex-1-yn-3-ylpiperazine-1-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O2S/c1-3-5-10(4-2)12-16(14,15)13-8-6-11-7-9-13/h2,10-12H,3,5-9H2,1H3
InChIKeyKADSWLHUEXIUIN-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.47
Rot. Bonds5

About N-hex-1-yn-3-ylpiperazine-1-sulfonamide

N-hex-1-yn-3-ylpiperazine-1-sulfonamide (PubChem CID 106231115) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-hex-1-yn-3-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-hex-1-yn-3-ylpiperazine-1-sulfonamide
PubChem CID106231115
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-hex-1-yn-3-ylpiperazine-1-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O2S/c1-3-5-10(4-2)12-16(14,15)13-8-6-11-7-9-13/h2,10-12H,3,5-9H2,1H3
InChIKeyKADSWLHUEXIUIN-UHFFFAOYSA-N
XLogP-0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.47
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

N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-sulfonamide
CID 61251794
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-hex-1-yn-3-yl-1-methylsulfonylpiperidin-4-amine
CID 114239294
3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
CID 106898864
N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
1-(2-methylpentylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963429
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylpiperazine-1-sulfonamide?
The IUPAC name of N-hex-1-yn-3-ylpiperazine-1-sulfonamide (CID 106231115) is N-hex-1-yn-3-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-hex-1-yn-3-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-hex-1-yn-3-ylpiperazine-1-sulfonamide is C#CC(CCC)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-hex-1-yn-3-ylpiperazine-1-sulfonamide?
The InChIKey is KADSWLHUEXIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-5-10(4-2)12-16(14,15)13-8-6-11-7-9-13/h2,10-12H,3,5-9H2,1H3.
What are the key properties of N-hex-1-yn-3-ylpiperazine-1-sulfonamide?
N-hex-1-yn-3-ylpiperazine-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 106231115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).