6-nonylpiperidine-3-sulfonamide

C14H30N2O2S — CID 106778339

IUPAC6-nonylpiperidine-3-sulfonamide
SMILESCCCCCCCCCC1CCC(S(N)(=O)=O)CN1
InChIInChI=1S/C14H30N2O2S/c1-2-3-4-5-6-7-8-9-13-10-11-14(12-16-13)19(15,17)18/h13-14,16H,2-12H2,1H3,(H2,15,17,18)
InChIKeyPESFMPRYNAJZHJ-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.54
Rot. Bonds9

About 6-nonylpiperidine-3-sulfonamide

6-nonylpiperidine-3-sulfonamide (PubChem CID 106778339) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 6-nonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name6-nonylpiperidine-3-sulfonamide
PubChem CID106778339
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name6-nonylpiperidine-3-sulfonamide
SMILESCCCCCCCCCC1CCC(S(N)(=O)=O)CN1
InChIInChI=1S/C14H30N2O2S/c1-2-3-4-5-6-7-8-9-13-10-11-14(12-16-13)19(15,17)18/h13-14,16H,2-12H2,1H3,(H2,15,17,18)
InChIKeyPESFMPRYNAJZHJ-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperidine
CID 106778394
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
2-pentylaziridine
CID 19101061
(2S)-2-hexylpyrrolidine
CID 7047826
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
2-hexyl-5-methylpiperazine
CID 153393891
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-tetradecylpiperidine
CID 151771246
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
2-heptadecylazepane
CID 4009189
6-pentylpiperidine-3,4-diol
CID 122657014

Frequently Asked Questions

What is the IUPAC name of 6-nonylpiperidine-3-sulfonamide?
The IUPAC name of 6-nonylpiperidine-3-sulfonamide (CID 106778339) is 6-nonylpiperidine-3-sulfonamide.
What is the SMILES notation for 6-nonylpiperidine-3-sulfonamide?
The canonical SMILES for 6-nonylpiperidine-3-sulfonamide is CCCCCCCCCC1CCC(S(N)(=O)=O)CN1.
What is the InChIKey of 6-nonylpiperidine-3-sulfonamide?
The InChIKey is PESFMPRYNAJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-2-3-4-5-6-7-8-9-13-10-11-14(12-16-13)19(15,17)18/h13-14,16H,2-12H2,1H3,(H2,15,17,18).
What are the key properties of 6-nonylpiperidine-3-sulfonamide?
6-nonylpiperidine-3-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonylpiperidine-3-sulfonamide is sourced from PubChem (CID 106778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).