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

C11H18F2N4O2S2 — CID 84585888

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCN(S(=O)(=O)C(F)F)CC2)n1
InChIInChI=1S/C11H18F2N4O2S2/c1-2-9-15-11(20-16-9)14-7-8-3-5-17(6-4-8)21(18,19)10(12)13/h8,10H,2-7H2,1H3,(H,14,15,16)
InChIKeyGAOMWCRZKQSDDW-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.78
Rot. Bonds6

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

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 84585888) has the molecular formula C11H18F2N4O2S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID84585888
Molecular FormulaC11H18F2N4O2S2
Molecular Weight340.42 g/mol
Exact Mass340.08
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCN(S(=O)(=O)C(F)F)CC2)n1
InChIInChI=1S/C11H18F2N4O2S2/c1-2-9-15-11(20-16-9)14-7-8-3-5-17(6-4-8)21(18,19)10(12)13/h8,10H,2-7H2,1H3,(H,14,15,16)
InChIKeyGAOMWCRZKQSDDW-UHFFFAOYSA-N
XLogP1.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.78
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
3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 71996486
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-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305311
N-methyl-2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
CID 107305367
N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305422
N-ethyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305423
N-(piperidin-4-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305425
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]ethanamine
CID 107305439

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 84585888) is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCN(S(=O)(=O)C(F)F)CC2)n1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GAOMWCRZKQSDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2S2/c1-2-9-15-11(20-16-9)14-7-8-3-5-17(6-4-8)21(18,19)10(12)13/h8,10H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 340.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 84585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).