N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide

C9H18F2N2O3S — CID 113462919

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O3S/c1-8-4-2-3-5-13(8)17(15,16)12-6-9(10,11)7-14/h8,12,14H,2-7H2,1H3
InChIKeyWKCXLIKEZAXACP-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.32
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 113462919) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
PubChem CID113462919
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O3S/c1-8-4-2-3-5-13(8)17(15,16)12-6-9(10,11)7-14/h8,12,14H,2-7H2,1H3
InChIKeyWKCXLIKEZAXACP-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 104858688
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide (CID 113462919) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is WKCXLIKEZAXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c1-8-4-2-3-5-13(8)17(15,16)12-6-9(10,11)7-14/h8,12,14H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 272.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 113462919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).