2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide

C12H19NO4S2 — CID 102750244

IUPAC2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NC1(C)CCOCC1
InChIInChI=1S/C12H19NO4S2/c1-9-8-18-10(7-14)11(9)19(15,16)13-12(2)3-5-17-6-4-12/h8,13-14H,3-7H2,1-2H3
InChIKeyLBJRSQRMBYAXAV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.40
Rot. Bonds4

About 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide (PubChem CID 102750244) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
PubChem CID102750244
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NC1(C)CCOCC1
InChIInChI=1S/C12H19NO4S2/c1-9-8-18-10(7-14)11(9)19(15,16)13-12(2)3-5-17-6-4-12/h8,13-14H,3-7H2,1-2H3
InChIKeyLBJRSQRMBYAXAV-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 102750136
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210
methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749359
4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107329156
4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
CID 102754376

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide (CID 102750244) is 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NC1(C)CCOCC1.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide?
The InChIKey is LBJRSQRMBYAXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-8-18-10(7-14)11(9)19(15,16)13-12(2)3-5-17-6-4-12/h8,13-14H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide has a molecular weight of 305.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).