N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide

C10H20F2N2O3S — CID 114128429

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCOCC(F)F
InChIInChI=1S/C10H20F2N2O3S/c11-10(12)7-17-5-4-14-18(15,16)8-9-2-1-3-13-6-9/h9-10,13-14H,1-8H2
InChIKeyWMNZCIOWWXQLMT-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.19
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 114128429) has the molecular formula C10H20F2N2O3S and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID114128429
Molecular FormulaC10H20F2N2O3S
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCOCC(F)F
InChIInChI=1S/C10H20F2N2O3S/c11-10(12)7-17-5-4-14-18(15,16)8-9-2-1-3-13-6-9/h9-10,13-14H,1-8H2
InChIKeyWMNZCIOWWXQLMT-UHFFFAOYSA-N
XLogP0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.19
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]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide (CID 114128429) is N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide is O=S(=O)(CC1CCCNC1)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is WMNZCIOWWXQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O3S/c11-10(12)7-17-5-4-14-18(15,16)8-9-2-1-3-13-6-9/h9-10,13-14H,1-8H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 286.34 g/mol, XLogP of 0.19, 8 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]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 114128429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).