[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide

C16H25F3N2O3S — CID 128889897

IUPAC[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C16H25F3N2O3S/c17-16(18,19)14-12-5-3-11(4-6-12)13(14)15(22)21-7-1-2-10(8-21)9-25(20,23)24/h10-14H,1-9H2,(H2,20,23,24)/t10?,11?,12?,13-,14-/m0/s1
InChIKeyWSVSGOCVTLCFMI-XZWFRODOSA-N
MW382.45 g/mol
LogP2.13
Rot. Bonds3

About [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide

[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 128889897) has the molecular formula C16H25F3N2O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID128889897
Molecular FormulaC16H25F3N2O3S
Molecular Weight382.45 g/mol
Exact Mass382.15
IUPAC Name[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C16H25F3N2O3S/c17-16(18,19)14-12-5-3-11(4-6-12)13(14)15(22)21-7-1-2-10(8-21)9-25(20,23)24/h10-14H,1-9H2,(H2,20,23,24)/t10?,11?,12?,13-,14-/m0/s1
InChIKeyWSVSGOCVTLCFMI-XZWFRODOSA-N
XLogP2.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
(1-iodopiperidin-3-yl)methanesulfonamide
CID 178012534
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
[(3R)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95763389
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234

Frequently Asked Questions

What is the IUPAC name of [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide (CID 128889897) is [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1.
What is the InChIKey of [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WSVSGOCVTLCFMI-XZWFRODOSA-N. The full InChI is InChI=1S/C16H25F3N2O3S/c17-16(18,19)14-12-5-3-11(4-6-12)13(14)15(22)21-7-1-2-10(8-21)9-25(20,23)24/h10-14H,1-9H2,(H2,20,23,24)/t10?,11?,12?,13-,14-/m0/s1.
What are the key properties of [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide?
[1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S,3S)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 128889897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).