N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide

C12H22N2O2S — CID 115650577

IUPACN-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O2S/c1-4-8-12(5-2)13-17(15,16)14-10-7-6-9-11(14)3/h1,11-13H,5-10H2,2-3H3
InChIKeyAJAOWZNXLJCHBM-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.50
Rot. Bonds5

About N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide

N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide (PubChem CID 115650577) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
PubChem CID115650577
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O2S/c1-4-8-12(5-2)13-17(15,16)14-10-7-6-9-11(14)3/h1,11-13H,5-10H2,2-3H3
InChIKeyAJAOWZNXLJCHBM-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729
1-(hex-5-yn-3-ylsulfamoyl)piperidine-4-carboxylic acid
CID 113477031
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
N-hex-5-yn-3-ylcyclopropanesulfonamide
CID 115650578
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 114208118
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43094969

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide (CID 115650577) is N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide is C#CCC(CC)NS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide?
The InChIKey is AJAOWZNXLJCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-8-12(5-2)13-17(15,16)14-10-7-6-9-11(14)3/h1,11-13H,5-10H2,2-3H3.
What are the key properties of N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide?
N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide has a molecular weight of 258.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 115650577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).