N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide

C8H16F2N2O3S — CID 115408987

IUPACN-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)F)N1CCC(CO)CC1
InChIInChI=1S/C8H16F2N2O3S/c9-8(10)5-11-16(14,15)12-3-1-7(6-13)2-4-12/h7-8,11,13H,1-6H2
InChIKeyBGPRTOHHSBMWNO-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.21
Rot. Bonds5

About N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide

N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide (PubChem CID 115408987) has the molecular formula C8H16F2N2O3S and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
PubChem CID115408987
Molecular FormulaC8H16F2N2O3S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC NameN-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)F)N1CCC(CO)CC1
InChIInChI=1S/C8H16F2N2O3S/c9-8(10)5-11-16(14,15)12-3-1-7(6-13)2-4-12/h7-8,11,13H,1-6H2
InChIKeyBGPRTOHHSBMWNO-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522645
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433638
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
CID 63297119
N-[4-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 112752969

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide (CID 115408987) is N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide is O=S(=O)(NCC(F)F)N1CCC(CO)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide?
The InChIKey is BGPRTOHHSBMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3S/c9-8(10)5-11-16(14,15)12-3-1-7(6-13)2-4-12/h7-8,11,13H,1-6H2.
What are the key properties of N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide?
N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide has a molecular weight of 258.29 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115408987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).