N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide

C8H15F3N2O2S — CID 139358177

IUPACN-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-6-2-7(5-12-3-6)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyQYODLZJEAUNZGO-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.32
Rot. Bonds3

About N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139358177) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID139358177
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-6-2-7(5-12-3-6)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyQYODLZJEAUNZGO-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
(1-Trifluoromethanesulfonylpiperidin-4-yl)methanamine
CID 43605368
1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
(1-Difluoromethanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 54592998
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine
CID 17762145
N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 18614340
(1-((Difluoromethyl)sulfonyl)piperidin-4-yl)methanamine
CID 43605257
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 59268340

Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide (CID 139358177) is N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CNCC(C(F)(F)F)C1.
What is the InChIKey of N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QYODLZJEAUNZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-16(14,15)13-4-6-2-7(5-12-3-6)8(9,10)11/h6-7,12-13H,2-5H2,1H3.
What are the key properties of N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139358177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).