2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

C9H12F3N3O2S2 — CID 95288283

IUPAC2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C9H12F3N3O2S2/c10-9(11,12)6-2-1-3-15(5-6)8-14-4-7(18-8)19(13,16)17/h4,6H,1-3,5H2,(H2,13,16,17)/t6-/m1/s1
InChIKeySZVBLRXPRJDEIS-ZCFIWIBFSA-N
MW315.34 g/mol
LogP1.57
Rot. Bonds2

About 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 95288283) has the molecular formula C9H12F3N3O2S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID95288283
Molecular FormulaC9H12F3N3O2S2
Molecular Weight315.34 g/mol
Exact Mass315.03
IUPAC Name2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C9H12F3N3O2S2/c10-9(11,12)6-2-1-3-15(5-6)8-14-4-7(18-8)19(13,16)17/h4,6H,1-3,5H2,(H2,13,16,17)/t6-/m1/s1
InChIKeySZVBLRXPRJDEIS-ZCFIWIBFSA-N
XLogP1.57
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (CID 95288283) is 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(N2CCC[C@@H](C(F)(F)F)C2)s1.
What is the InChIKey of 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is SZVBLRXPRJDEIS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3O2S2/c10-9(11,12)6-2-1-3-15(5-6)8-14-4-7(18-8)19(13,16)17/h4,6H,1-3,5H2,(H2,13,16,17)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 315.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 95288283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).