2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide

C13H21NO3S2 — CID 102750058

IUPAC2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C13H21NO3S2/c1-10-8-18-11(7-15)12(10)19(16,17)14-9-13(2)5-3-4-6-13/h8,14-15H,3-7,9H2,1-2H3
InChIKeyZQIFBRGDNFRPEE-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.41
Rot. Bonds5

About 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide (PubChem CID 102750058) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
PubChem CID102750058
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC1(C)CCCC1
InChIInChI=1S/C13H21NO3S2/c1-10-8-18-11(7-15)12(10)19(16,17)14-9-13(2)5-3-4-6-13/h8,14-15H,3-7,9H2,1-2H3
InChIKeyZQIFBRGDNFRPEE-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 102750136
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
CID 102754376
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 120874294
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide (CID 102750058) is 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NCC1(C)CCCC1.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The InChIKey is ZQIFBRGDNFRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-10-8-18-11(7-15)12(10)19(16,17)14-9-13(2)5-3-4-6-13/h8,14-15H,3-7,9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.41, 5 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-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102750058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).