N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

C11H23F2N3O3S — CID 106091913

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCOCC(F)F)C1
InChIInChI=1S/C11H23F2N3O3S/c1-14-7-10-3-2-5-16(8-10)20(17,18)15-4-6-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyADFGRJTWQYBDRG-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.03
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106091913) has the molecular formula C11H23F2N3O3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106091913
Molecular FormulaC11H23F2N3O3S
Molecular Weight315.39 g/mol
Exact Mass315.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCOCC(F)F)C1
InChIInChI=1S/C11H23F2N3O3S/c1-14-7-10-3-2-5-16(8-10)20(17,18)15-4-6-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyADFGRJTWQYBDRG-UHFFFAOYSA-N
XLogP0.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
1-[1-(1-methoxypropan-2-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 119961006
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106095283
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106091913) is N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is ADFGRJTWQYBDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O3S/c1-14-7-10-3-2-5-16(8-10)20(17,18)15-4-6-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).