1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide

C9H18F2N2O3S — CID 55250999

IUPAC1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)C(F)F
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)17(14,15)13-4-1-7-16-8-2-5-12-6-3-8/h8-9,12-13H,1-7H2
InChIKeyZHCYRWDZFPBMTM-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.29
Rot. Bonds7

About 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide

1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide (PubChem CID 55250999) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
PubChem CID55250999
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC Name1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)C(F)F
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)17(14,15)13-4-1-7-16-8-2-5-12-6-3-8/h8-9,12-13H,1-7H2
InChIKeyZHCYRWDZFPBMTM-UHFFFAOYSA-N
XLogP0.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.29
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 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide (CID 55250999) is 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide is O=S(=O)(NCCCOC1CCNCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The InChIKey is ZHCYRWDZFPBMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c10-9(11)17(14,15)13-4-1-7-16-8-2-5-12-6-3-8/h8-9,12-13H,1-7H2.
What are the key properties of 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide has a molecular weight of 272.32 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 55250999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).