1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide

C7H13F3N2O2S — CID 70224221

IUPAC1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide
SMILESCC1CCCN(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZLPQJDXWFGHDRB-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.07
Rot. Bonds2

About 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide

1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide (PubChem CID 70224221) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide
PubChem CID70224221
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide
SMILESCC1CCCN(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZLPQJDXWFGHDRB-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
N,1,1-trifluoro-1-(3-methylpiperidin-1-yl)methanesulfonamide
CID 22008412
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
1,1,1-trifluoro-N-(2-methylpiperidin-1-yl)methanesulfonamide
CID 53696059
(3S)-3-(difluoromethyl)-1-methylsulfonylpiperidine
CID 124021484
(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine
CID 130610414
1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide
CID 139989642
3-(Difluoromethyl)-1-methylsulfonylpiperidine
CID 140636850
N-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoromethanesulfonamide
CID 145778095
(3R)-1-(difluoromethylsulfonyl)-3-methylpiperidine
CID 176666143
(3R,5R)-1-(difluoromethylsulfonyl)-3-fluoro-5-methylpiperidine
CID 178844937

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide (CID 70224221) is 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide is CC1CCCN(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide?
The InChIKey is ZLPQJDXWFGHDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-6-3-2-4-12(5-6)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide is sourced from PubChem (CID 70224221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).