5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

C11H19NO3S2 — CID 114132191

IUPAC5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C11H19NO3S2/c1-5-11(3,4)12-17(14,15)10-6-8(2)9(7-13)16-10/h6,12-13H,5,7H2,1-4H3
InChIKeyFNSIMDGTAMDGTC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds5

About 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 114132191) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID114132191
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C11H19NO3S2/c1-5-11(3,4)12-17(14,15)10-6-8(2)9(7-13)16-10/h6,12-13H,5,7H2,1-4H3
InChIKeyFNSIMDGTAMDGTC-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114135437
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
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
5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283893

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 114132191) is 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is FNSIMDGTAMDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-5-11(3,4)12-17(14,15)10-6-8(2)9(7-13)16-10/h6,12-13H,5,7H2,1-4H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114132191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).