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

C11H14F3NO3S2 — CID 102749901

IUPACN-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H14F3NO3S2/c1-7-5-19-9(4-16)10(7)20(17,18)15(8-2-3-8)6-11(12,13)14/h5,8,16H,2-4,6H2,1H3
InChIKeyVOAGBNPOQNIRBI-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.26
Rot. Bonds5

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

N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749901) has the molecular formula C11H14F3NO3S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749901
Molecular FormulaC11H14F3NO3S2
Molecular Weight329.37 g/mol
Exact Mass329.04
IUPAC NameN-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H14F3NO3S2/c1-7-5-19-9(4-16)10(7)20(17,18)15(8-2-3-8)6-11(12,13)14/h5,8,16H,2-4,6H2,1H3
InChIKeyVOAGBNPOQNIRBI-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729018
5-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65729783
5-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733005
[4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65734344
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734534
2-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734727
2-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735116
N-ethyl-5-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65735298
N-cyclopropyl-5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735305
N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735306
N-cyclopropyl-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735497
5-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65735695

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749901) is N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is VOAGBNPOQNIRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S2/c1-7-5-19-9(4-16)10(7)20(17,18)15(8-2-3-8)6-11(12,13)14/h5,8,16H,2-4,6H2,1H3.
What are the key properties of N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 329.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).