N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide

C13H18N2O3S2 — CID 56782887

IUPACN-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S2/c16-13(12-4-2-1-3-5-12)14-6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyTXVFMRPVLFRVKM-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.80
Rot. Bonds5

About N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide

N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide (PubChem CID 56782887) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
PubChem CID56782887
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC NameN-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S2/c16-13(12-4-2-1-3-5-12)14-6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyTXVFMRPVLFRVKM-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7423224
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
1-benzyl-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111546160
3-(2-aminophenyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 120610539
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 119777069

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The IUPAC name of N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide (CID 56782887) is N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The canonical SMILES for N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide is O=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1.
What is the InChIKey of N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The InChIKey is TXVFMRPVLFRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c16-13(12-4-2-1-3-5-12)14-6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16).
What are the key properties of N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide has a molecular weight of 314.43 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide is sourced from PubChem (CID 56782887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).