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

C10H15F3N4O2S2 — CID 91661230

IUPACN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H15F3N4O2S2/c1-2-21(18,19)16-7-3-5-17(6-4-7)9-15-14-8(20-9)10(11,12)13/h7,16H,2-6H2,1H3
InChIKeyGTSYTAKRUDCQSD-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.47
Rot. Bonds4

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

N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide (PubChem CID 91661230) has the molecular formula C10H15F3N4O2S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide
PubChem CID91661230
Molecular FormulaC10H15F3N4O2S2
Molecular Weight344.38 g/mol
Exact Mass344.06
IUPAC NameN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H15F3N4O2S2/c1-2-21(18,19)16-7-3-5-17(6-4-7)9-15-14-8(20-9)10(11,12)13/h7,16H,2-6H2,1H3
InChIKeyGTSYTAKRUDCQSD-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide (CID 91661230) is N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is GTSYTAKRUDCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S2/c1-2-21(18,19)16-7-3-5-17(6-4-7)9-15-14-8(20-9)10(11,12)13/h7,16H,2-6H2,1H3.
What are the key properties of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide?
N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 91661230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).