2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide

C11H19NO4S2 — CID 102749841

IUPAC2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H19NO4S2/c1-8-7-17-10(5-13)11(8)18(14,15)12(3)9(2)6-16-4/h7,9,13H,5-6H2,1-4H3
InChIKeyZBLNTKHPUOPHGY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.20
Rot. Bonds6

About 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide

2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102749841) has the molecular formula C11H19NO4S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102749841
Molecular FormulaC11H19NO4S2
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Name2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H19NO4S2/c1-8-7-17-10(5-13)11(8)18(14,15)12(3)9(2)6-16-4/h7,9,13H,5-6H2,1-4H3
InChIKeyZBLNTKHPUOPHGY-UHFFFAOYSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749725
N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749894
N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749901
2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749903
2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749904
2-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 102750108
N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102750250
2-(hydroxymethyl)-4-methyl-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-sulfonamide
CID 105946534
2-(hydroxymethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 105983633
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106001546
[5-(2,5-Dimethylmorpholin-4-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 65728951
5-(hydroxymethyl)-N-methyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 65728980

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide (CID 102749841) is 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide is COCC(C)N(C)S(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is ZBLNTKHPUOPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S2/c1-8-7-17-10(5-13)11(8)18(14,15)12(3)9(2)6-16-4/h7,9,13H,5-6H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide?
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102749841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).