N-(7-methyloctyl)piperidine-3-sulfonamide

C14H30N2O2S — CID 107816777

IUPACN-(7-methyloctyl)piperidine-3-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C14H30N2O2S/c1-13(2)8-5-3-4-6-11-16-19(17,18)14-9-7-10-15-12-14/h13-16H,3-12H2,1-2H3
InChIKeyPKODZVNCWHSWTB-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.26
Rot. Bonds9

About N-(7-methyloctyl)piperidine-3-sulfonamide

N-(7-methyloctyl)piperidine-3-sulfonamide (PubChem CID 107816777) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(7-methyloctyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(7-methyloctyl)piperidine-3-sulfonamide
PubChem CID107816777
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(7-methyloctyl)piperidine-3-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C14H30N2O2S/c1-13(2)8-5-3-4-6-11-16-19(17,18)14-9-7-10-15-12-14/h13-16H,3-12H2,1-2H3
InChIKeyPKODZVNCWHSWTB-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 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 ≤ 52.26
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

N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-(3-methylbutyl)pyrrolidine-3-sulfonamide
CID 65421561
N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
CID 113327829
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 114134808
N-heptan-2-ylpiperidine-3-sulfonamide
CID 54972706
N-(2-methoxypropyl)piperidine-3-sulfonamide
CID 102699245
N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 62636011
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
CID 55141917
N-(2-phenylpropyl)piperidine-3-sulfonamide
CID 104591796
N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
CID 65422646

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)piperidine-3-sulfonamide?
The IUPAC name of N-(7-methyloctyl)piperidine-3-sulfonamide (CID 107816777) is N-(7-methyloctyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(7-methyloctyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(7-methyloctyl)piperidine-3-sulfonamide is CC(C)CCCCCCNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-(7-methyloctyl)piperidine-3-sulfonamide?
The InChIKey is PKODZVNCWHSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2)8-5-3-4-6-11-16-19(17,18)14-9-7-10-15-12-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(7-methyloctyl)piperidine-3-sulfonamide?
N-(7-methyloctyl)piperidine-3-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)piperidine-3-sulfonamide is sourced from PubChem (CID 107816777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).