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

C9H19F2N3O2S — CID 115409174

IUPACN-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-12-6-8-2-4-14(5-3-8)17(15,16)13-7-9(10)11/h8-9,12-13H,2-7H2,1H3
InChIKeyIIEMBJPXCRRYSN-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.02
Rot. Bonds6

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

N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 115409174) has the molecular formula C9H19F2N3O2S and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID115409174
Molecular FormulaC9H19F2N3O2S
Molecular Weight271.33 g/mol
Exact Mass271.12
IUPAC NameN-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCC(F)F)CC1
InChIInChI=1S/C9H19F2N3O2S/c1-12-6-8-2-4-14(5-3-8)17(15,16)13-7-9(10)11/h8-9,12-13H,2-7H2,1H3
InChIKeyIIEMBJPXCRRYSN-UHFFFAOYSA-N
XLogP0.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 115408987
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087127
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 115409174) is N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is IIEMBJPXCRRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O2S/c1-12-6-8-2-4-14(5-3-8)17(15,16)13-7-9(10)11/h8-9,12-13H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 271.33 g/mol, XLogP of 0.02, 6 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-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115409174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).