2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide

C11H19NO3S2 — CID 114132226

IUPAC2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H19NO3S2/c1-4-9(5-2)12-17(14,15)11-8(3)7-16-10(11)6-13/h7,9,12-13H,4-6H2,1-3H3
InChIKeyYRDGOSKAKWZBBP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds6

About 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide (PubChem CID 114132226) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
PubChem CID114132226
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C11H19NO3S2/c1-4-9(5-2)12-17(14,15)11-8(3)7-16-10(11)6-13/h7,9,12-13H,4-6H2,1-3H3
InChIKeyYRDGOSKAKWZBBP-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 102749704
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 102750136
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide (CID 114132226) is 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide is CCC(CC)NS(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The InChIKey is YRDGOSKAKWZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-4-9(5-2)12-17(14,15)11-8(3)7-16-10(11)6-13/h7,9,12-13H,4-6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 114132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).