5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide

C11H19NO4S2 — CID 114134527

IUPAC5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C11H19NO4S2/c1-8(7-16-3)5-12-18(14,15)11-4-9(2)10(6-13)17-11/h4,8,12-13H,5-7H2,1-3H3
InChIKeyNFHVLRHZVDZTOG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.11
Rot. Bonds7

About 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide

5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide (PubChem CID 114134527) has the molecular formula C11H19NO4S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
PubChem CID114134527
Molecular FormulaC11H19NO4S2
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Name5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C11H19NO4S2/c1-8(7-16-3)5-12-18(14,15)11-4-9(2)10(6-13)17-11/h4,8,12-13H,5-7H2,1-3H3
InChIKeyNFHVLRHZVDZTOG-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide (CID 114134527) is 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide is COCC(C)CNS(=O)(=O)c1cc(C)c(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is NFHVLRHZVDZTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S2/c1-8(7-16-3)5-12-18(14,15)11-4-9(2)10(6-13)17-11/h4,8,12-13H,5-7H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide?
5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114134527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).