5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide

C10H15NO4S2 — CID 114135005

IUPAC5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(CO)s1
InChIInChI=1S/C10H15NO4S2/c12-6-9-3-4-10(16-9)17(13,14)11-8-2-1-5-15-7-8/h3-4,8,11-12H,1-2,5-7H2
InChIKeyWVMXROIOJPJOFM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.70
Rot. Bonds4

About 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide

5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide (PubChem CID 114135005) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
PubChem CID114135005
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(CO)s1
InChIInChI=1S/C10H15NO4S2/c12-6-9-3-4-10(16-9)17(13,14)11-8-2-1-5-15-7-8/h3-4,8,11-12H,1-2,5-7H2
InChIKeyWVMXROIOJPJOFM-UHFFFAOYSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
CID 114135006
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 61020827
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065252

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide (CID 114135005) is 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCOC1)c1ccc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The InChIKey is WVMXROIOJPJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c12-6-9-3-4-10(16-9)17(13,14)11-8-2-1-5-15-7-8/h3-4,8,11-12H,1-2,5-7H2.
What are the key properties of 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114135005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).