N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

C11H23F2N3O3S — CID 106091946

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C11H23F2N3O3S/c1-14-8-10-4-2-3-6-16(10)20(17,18)15-5-7-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyZHNDHGAWDSCKMG-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.18
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106091946) has the molecular formula C11H23F2N3O3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106091946
Molecular FormulaC11H23F2N3O3S
Molecular Weight315.39 g/mol
Exact Mass315.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C11H23F2N3O3S/c1-14-8-10-4-2-3-6-16(10)20(17,18)15-5-7-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyZHNDHGAWDSCKMG-UHFFFAOYSA-N
XLogP0.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106091946) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is ZHNDHGAWDSCKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O3S/c1-14-8-10-4-2-3-6-16(10)20(17,18)15-5-7-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).