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

C11H23F2N3O2S — CID 115409103

IUPACN-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCC(F)F)CC1
InChIInChI=1S/C11H23F2N3O2S/c1-2-5-14-8-10-3-6-16(7-4-10)19(17,18)15-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyMDSQUVCPLCJIIE-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.80
Rot. Bonds8

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

N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 115409103) has the molecular formula C11H23F2N3O2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID115409103
Molecular FormulaC11H23F2N3O2S
Molecular Weight299.39 g/mol
Exact Mass299.15
IUPAC NameN-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCC(F)F)CC1
InChIInChI=1S/C11H23F2N3O2S/c1-2-5-14-8-10-3-6-16(7-4-10)19(17,18)15-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyMDSQUVCPLCJIIE-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078679
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 115408987
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N',N'-dimethyl-4-(propylaminomethyl)piperidine-1-sulfonohydrazide
CID 114141798
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106423900
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (CID 115409103) is N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCN(S(=O)(=O)NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is MDSQUVCPLCJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O2S/c1-2-5-14-8-10-3-6-16(7-4-10)19(17,18)15-9-11(12)13/h10-11,14-15H,2-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 0.80, 8 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-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115409103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).