N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide

C10H15F3N4O2S2 — CID 124880274

IUPACN-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-15-8(16-20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyDXEBFLLFJHEUGE-SSDOTTSWSA-N
MW344.38 g/mol
LogP1.32
Rot. Bonds4

About N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 124880274) has the molecular formula C10H15F3N4O2S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID124880274
Molecular FormulaC10H15F3N4O2S2
Molecular Weight344.38 g/mol
Exact Mass344.06
IUPAC NameN-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-15-8(16-20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyDXEBFLLFJHEUGE-SSDOTTSWSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 71996486
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 84585888
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107304495
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
CID 107304496
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304784
N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304870
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107305303
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]propan-2-amine
CID 107305333
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
CID 107305348
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine
CID 107305364
[6-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107305366

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 124880274) is N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is DXEBFLLFJHEUGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F3N4O2S2/c1-21(18,19)14-5-7-3-2-4-17(6-7)9-15-8(16-20-9)10(11,12)13/h7,14H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124880274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).