2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H16F3NO3S2 — CID 102749903

IUPAC2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H16F3NO3S2/c1-3-4-15(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-16/h6,16H,3-5,7H2,1-2H3
InChIKeyULWTYIURTRYBRI-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.51
Rot. Bonds6

About 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749903) has the molecular formula C11H16F3NO3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749903
Molecular FormulaC11H16F3NO3S2
Molecular Weight331.38 g/mol
Exact Mass331.05
IUPAC Name2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H16F3NO3S2/c1-3-4-15(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-16/h6,16H,3-5,7H2,1-2H3
InChIKeyULWTYIURTRYBRI-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65728833
5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729018
5-(hydroxymethyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729019
2-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729397
5-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65729783
[3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65732050
5-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733005
[4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65733008
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733387
[3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65733774
[4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65734344
[5-Methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65734345

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749903) is 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is ULWTYIURTRYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3S2/c1-3-4-15(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-16/h6,16H,3-5,7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).