3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H15F3N2O3S2 — CID 51311414

IUPAC3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-11(18)10-9(4-7-21-10)22(19,20)17-5-2-1-3-6-17/h4,7H,1-3,5-6,8H2,(H,16,18)
InChIKeyGOALNFOGVFTGDH-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.21
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 51311414) has the molecular formula C12H15F3N2O3S2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID51311414
Molecular FormulaC12H15F3N2O3S2
Molecular Weight356.39 g/mol
Exact Mass356.05
IUPAC Name3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-11(18)10-9(4-7-21-10)22(19,20)17-5-2-1-3-6-17/h4,7H,1-3,5-6,8H2,(H,16,18)
InChIKeyGOALNFOGVFTGDH-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2891912
CID 2891912
CID 4779966
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CID 6486032
CID 6486032
CID 770531
CID 770531
CID 1094979
CID 1094979
CID 3086612
CID 3086612
CID 655038
CID 655038
CID 6486027
CID 6486027
CID 6486062
CID 6486062
CID 20900814
CID 20900814
CID 652970
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CID 23548730
CID 23548730

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 51311414) is 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is GOALNFOGVFTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-11(18)10-9(4-7-21-10)22(19,20)17-5-2-1-3-6-17/h4,7H,1-3,5-6,8H2,(H,16,18).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51311414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).