N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide

C9H17F3N2O3S — CID 63827268

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)7-17-5-4-14-18(15,16)8-2-1-3-13-6-8/h8,13-14H,1-7H2
InChIKeyULMQWTXLBOQGRG-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.24
Rot. Bonds6

About N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide (PubChem CID 63827268) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide
PubChem CID63827268
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)7-17-5-4-14-18(15,16)8-2-1-3-13-6-8/h8,13-14H,1-7H2
InChIKeyULMQWTXLBOQGRG-UHFFFAOYSA-N
XLogP0.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.24
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-(Piperidine-3-sulfonyl)morpholine
CID 22263137
Morpholine, 4-piperidinosulfonyl-
CID 144465
3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855505
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009641
1,1-difluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 55250999
1-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 55262238
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 61490880
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
CID 62049544
2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 63245729
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 63289803
2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 63826565
2-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 63826566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide (CID 63827268) is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide is O=S(=O)(NCCOCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide?
The InChIKey is ULMQWTXLBOQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c10-9(11,12)7-17-5-4-14-18(15,16)8-2-1-3-13-6-8/h8,13-14H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 63827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).