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

C12H25F2N3O3S — CID 106091873

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C12H25F2N3O3S/c1-2-15-9-11-5-3-4-7-17(11)21(18,19)16-6-8-20-10-12(13)14/h11-12,15-16H,2-10H2,1H3
InChIKeyPFSBBYVRZCJOSY-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.57
Rot. Bonds10

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

N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106091873) has the molecular formula C12H25F2N3O3S and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106091873
Molecular FormulaC12H25F2N3O3S
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C12H25F2N3O3S/c1-2-15-9-11-5-3-4-7-17(11)21(18,19)16-6-8-20-10-12(13)14/h11-12,15-16H,2-10H2,1H3
InChIKeyPFSBBYVRZCJOSY-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.57
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-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106091873) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is PFSBBYVRZCJOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N3O3S/c1-2-15-9-11-5-3-4-7-17(11)21(18,19)16-6-8-20-10-12(13)14/h11-12,15-16H,2-10H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of 0.57, 10 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-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).