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

C9H12F3N3O2S2 — CID 95288282

IUPAC2-[(3S)-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-/m0/s1
InChIKeySZVBLRXPRJDEIS-LURJTMIESA-N
MW315.34 g/mol
LogP1.57
Rot. Bonds2

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

2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 95288282) has the molecular formula C9H12F3N3O2S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID95288282
Molecular FormulaC9H12F3N3O2S2
Molecular Weight315.34 g/mol
Exact Mass315.03
IUPAC Name2-[(3S)-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-/m0/s1
InChIKeySZVBLRXPRJDEIS-LURJTMIESA-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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Related Compounds

2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 133363012
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
CID 133355060
3-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 69219876
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66452127
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 172880679
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129372273
methyl 4-(5-sulfamoyl-1,3-thiazol-2-yl)-1,4-thiazepane-6-carboxylate
CID 146092473
5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115424754
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 66449158
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106742
5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
CID 130626861
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (CID 95288282) is 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(3S)-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-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is SZVBLRXPRJDEIS-LURJTMIESA-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-/m0/s1.
What are the key properties of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
2-[(3S)-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-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 95288282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).