3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

C10H15F3N4O2S2 — CID 71996486

IUPAC3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C10H15F3N4O2S2/c1-7-15-9(20-16-7)14-6-8-2-4-17(5-3-8)21(18,19)10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyGDODHJGWEQKKHT-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.82
Rot. Bonds4

About 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 71996486) has the molecular formula C10H15F3N4O2S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID71996486
Molecular FormulaC10H15F3N4O2S2
Molecular Weight344.38 g/mol
Exact Mass344.06
IUPAC Name3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C10H15F3N4O2S2/c1-7-15-9(20-16-7)14-6-8-2-4-17(5-3-8)21(18,19)10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyGDODHJGWEQKKHT-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 124880274
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
2-methyl-N-[[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 117784895
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-4-yl]methanamine
CID 107304496
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304784
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304809
N-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304869
N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304870
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107305303
N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 71996486) is 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GDODHJGWEQKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S2/c1-7-15-9(20-16-7)14-6-8-2-4-17(5-3-8)21(18,19)10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 344.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71996486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).