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

C11H23F2N3O2S — CID 115409161

IUPACN-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)NCC(F)F
InChIInChI=1S/C11H23F2N3O2S/c1-2-6-14-8-10-5-3-4-7-16(10)19(17,18)15-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyQSTWCQGMAUWHCL-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.94
Rot. Bonds8

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

N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 115409161) has the molecular formula C11H23F2N3O2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID115409161
Molecular FormulaC11H23F2N3O2S
Molecular Weight299.39 g/mol
Exact Mass299.15
IUPAC NameN-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)NCC(F)F
InChIInChI=1S/C11H23F2N3O2S/c1-2-6-14-8-10-5-3-4-7-16(10)19(17,18)15-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyQSTWCQGMAUWHCL-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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

2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
N-(4-methylsulfanylbutyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078101
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106076225
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477
N-[[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 83047909
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988619
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide (CID 115409161) is N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCCN1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is QSTWCQGMAUWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O2S/c1-2-6-14-8-10-5-3-4-7-16(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)-2-(propylaminomethyl)piperidine-1-sulfonamide?
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 0.94, 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)-2-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115409161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).