4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

C13H20N2O3S2 — CID 106327319

IUPAC4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCSCC1)c1ccc(CO)cc1
InChIInChI=1S/C13H20N2O3S2/c16-11-12-1-3-13(4-2-12)20(17,18)14-5-6-15-7-9-19-10-8-15/h1-4,14,16H,5-11H2
InChIKeyYVFUJTLGJYJDLN-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.51
Rot. Bonds6

About 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 106327319) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID106327319
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCSCC1)c1ccc(CO)cc1
InChIInChI=1S/C13H20N2O3S2/c16-11-12-1-3-13(4-2-12)20(17,18)14-5-6-15-7-9-19-10-8-15/h1-4,14,16H,5-11H2
InChIKeyYVFUJTLGJYJDLN-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 113234769
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049
5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106327409

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 106327319) is 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCSCC1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YVFUJTLGJYJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c16-11-12-1-3-13(4-2-12)20(17,18)14-5-6-15-7-9-19-10-8-15/h1-4,14,16H,5-11H2.
What are the key properties of 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106327319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).