N-heptan-2-ylpiperidine-3-sulfonamide

C12H26N2O2S — CID 54972706

IUPACN-heptan-2-ylpiperidine-3-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-5-7-11(2)14-17(15,16)12-8-6-9-13-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZPQYAZSABFAMCS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.63
Rot. Bonds7

About N-heptan-2-ylpiperidine-3-sulfonamide

N-heptan-2-ylpiperidine-3-sulfonamide (PubChem CID 54972706) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-heptan-2-ylpiperidine-3-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-ylpiperidine-3-sulfonamide
PubChem CID54972706
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-heptan-2-ylpiperidine-3-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-5-7-11(2)14-17(15,16)12-8-6-9-13-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZPQYAZSABFAMCS-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylpiperidine-3-sulfonamide?
The IUPAC name of N-heptan-2-ylpiperidine-3-sulfonamide (CID 54972706) is N-heptan-2-ylpiperidine-3-sulfonamide.
What is the SMILES notation for N-heptan-2-ylpiperidine-3-sulfonamide?
The canonical SMILES for N-heptan-2-ylpiperidine-3-sulfonamide is CCCCCC(C)NS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-heptan-2-ylpiperidine-3-sulfonamide?
The InChIKey is ZPQYAZSABFAMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-4-5-7-11(2)14-17(15,16)12-8-6-9-13-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-heptan-2-ylpiperidine-3-sulfonamide?
N-heptan-2-ylpiperidine-3-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylpiperidine-3-sulfonamide is sourced from PubChem (CID 54972706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).