1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide

C6H11F3N2O2S — CID 139989642

IUPAC1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide
SMILESO=S(=O)(NN1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)10-11-4-2-1-3-5-11/h10H,1-5H2
InChIKeyRDWOVSVOCXDSPD-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.83
Rot. Bonds2

About 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide

1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide (PubChem CID 139989642) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide
PubChem CID139989642
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide
SMILESO=S(=O)(NN1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)10-11-4-2-1-3-5-11/h10H,1-5H2
InChIKeyRDWOVSVOCXDSPD-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Trifluoromethyl)sulfonyl)piperidine
CID 11085234
(1-Methylpiperidin-1-ium-1-yl)-(trifluoromethylsulfonyl)azanide
CID 177625797
1,1,1-trifluoro-N-(2-methylpiperidin-1-yl)methanesulfonamide
CID 53696059
1,1,1-trifluoro-N-(3-methylpiperidin-1-yl)methanesulfonamide
CID 70224221
N-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluoromethanesulfonamide
CID 145778095
1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonohydrazide
CID 164132516
piperidin-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 176027517
N-piperidin-1-yl-methanesulfonamide
CID 21328006
4-Deuterio-1-(trifluoromethylsulfonyl)piperidine
CID 175981721
3-Deuterio-1-(trifluoromethylsulfonyl)piperidine
CID 176157454

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide (CID 139989642) is 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide is O=S(=O)(NN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide?
The InChIKey is RDWOVSVOCXDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)10-11-4-2-1-3-5-11/h10H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide?
1,1,1-trifluoro-N-piperidin-1-ylmethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.83, 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-piperidin-1-ylmethanesulfonamide is sourced from PubChem (CID 139989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).