2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C11H22F3N3O3S — CID 114813135

IUPAC2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCOCCNCC1CCCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-20-7-5-15-8-10-4-2-3-6-17(10)21(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyJSIXANFBHTWDRB-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.47
Rot. Bonds8

About 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114813135) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114813135
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCOCCNCC1CCCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-20-7-5-15-8-10-4-2-3-6-17(10)21(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyJSIXANFBHTWDRB-UHFFFAOYSA-N
XLogP0.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.47
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

4-(2-methoxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 121521175
1-[(2S)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 157049122
1-[(2R)-2-(cyclohexylamino)propoxy]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 166848425
N-[2-[2-(cyclohexylamino)propoxy]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 169661723
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 43602824
1-piperidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54960405
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 55139036
N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 55244727
N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 55244924
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]ethanamine
CID 55257424
6-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 61490307
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 61490880

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114813135) is 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is COCCNCC1CCCCN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is JSIXANFBHTWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-20-7-5-15-8-10-4-2-3-6-17(10)21(18,19)16-9-11(12,13)14/h10,15-16H,2-9H2,1H3.
What are the key properties of 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114813135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).