N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C9H17F3N2O2S — CID 54972338

IUPACN-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)17(15,16)6-8-3-2-4-13-5-8/h8,13H,2-7H2,1H3
InChIKeyYXIBWPWKRZKSCZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 54972338) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID54972338
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)17(15,16)6-8-3-2-4-13-5-8/h8,13H,2-7H2,1H3
InChIKeyYXIBWPWKRZKSCZ-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
Piperidin-3-ylmethanesulfonamide
CID 50988744
1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-methyl-1-(piperidin-3-yl)methanesulfonamide hydrochloride
CID 126796285
N-Methyl-1-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 137703094
[(3R)-piperidin-3-yl]methanesulfonamide hydrochloride
CID 155971028
N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
CID 95331031
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 54972338) is N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CN(CC(F)(F)F)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is YXIBWPWKRZKSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(7-9(10,11)12)17(15,16)6-8-3-2-4-13-5-8/h8,13H,2-7H2,1H3.
What are the key properties of N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 54972338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).