N-(5-methylhexyl)piperidine-1-sulfonamide

C12H26N2O2S — CID 163299429

IUPACN-(5-methylhexyl)piperidine-1-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-12(2)8-4-5-9-13-17(15,16)14-10-6-3-7-11-14/h12-13H,3-11H2,1-2H3
InChIKeyKILFRJTXOOPTNG-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.13
Rot. Bonds7

About N-(5-methylhexyl)piperidine-1-sulfonamide

N-(5-methylhexyl)piperidine-1-sulfonamide (PubChem CID 163299429) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(5-methylhexyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)piperidine-1-sulfonamide
PubChem CID163299429
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(5-methylhexyl)piperidine-1-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-12(2)8-4-5-9-13-17(15,16)14-10-6-3-7-11-14/h12-13H,3-11H2,1-2H3
InChIKeyKILFRJTXOOPTNG-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-methylhexyl)piperidine-1-sulfonamide (CID 163299429) is N-(5-methylhexyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)piperidine-1-sulfonamide is CC(C)CCCCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(5-methylhexyl)piperidine-1-sulfonamide?
The InChIKey is KILFRJTXOOPTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2)8-4-5-9-13-17(15,16)14-10-6-3-7-11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(5-methylhexyl)piperidine-1-sulfonamide?
N-(5-methylhexyl)piperidine-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)piperidine-1-sulfonamide is sourced from PubChem (CID 163299429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).