N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

C10H19F3N2O2S — CID 71194517

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-2-15-5-3-4-9(7-15)6-14-18(16,17)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyAECXSGZNUCGCOT-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.20
Rot. Bonds5

About N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide

N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 71194517) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID71194517
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-2-15-5-3-4-9(7-15)6-14-18(16,17)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyAECXSGZNUCGCOT-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635317
(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide
CID 129446480
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
3-chloro-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 79585238
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 47092430
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
CID 146108649

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide (CID 71194517) is N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is CCN1CCCC(CNS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is AECXSGZNUCGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-2-15-5-3-4-9(7-15)6-14-18(16,17)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide?
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 71194517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).