N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

C10H15NO5S2 — CID 114134433

IUPACN-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1csc(CO)c1
InChIInChI=1S/C10H15NO5S2/c12-5-9-3-10(7-17-9)18(13,14)11-4-8-6-15-1-2-16-8/h3,7-8,11-12H,1-2,4-6H2
InChIKeyJDANOQTZTICWGG-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.07
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 114134433) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID114134433
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1csc(CO)c1
InChIInChI=1S/C10H15NO5S2/c12-5-9-3-10(7-17-9)18(13,14)11-4-8-6-15-1-2-16-8/h3,7-8,11-12H,1-2,4-6H2
InChIKeyJDANOQTZTICWGG-UHFFFAOYSA-N
XLogP-0.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
CID 106016674
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
CID 94606731
N-(1,4-dioxan-2-ylmethyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106016710
3-amino-N-(1,4-dioxan-2-ylmethyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791579
N-(1,4-dioxan-2-ylmethyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106016685
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 54907359
5-amino-N-(1,4-dioxan-2-ylmethyl)-2,3-dimethylbenzenesulfonamide
CID 61024883

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (CID 114134433) is N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(NCC1COCCO1)c1csc(CO)c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is JDANOQTZTICWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c12-5-9-3-10(7-17-9)18(13,14)11-4-8-6-15-1-2-16-8/h3,7-8,11-12H,1-2,4-6H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114134433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).