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

C13H20N2O2S2 — CID 113248054

IUPAC2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C13H20N2O2S2/c1-12-4-2-3-5-13(12)19(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyGNJRMSFCAYBSEH-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.32
Rot. Bonds5

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

2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 113248054) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID113248054
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C13H20N2O2S2/c1-12-4-2-3-5-13(12)19(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3
InChIKeyGNJRMSFCAYBSEH-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327376
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
3-methyl-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 106325916
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 113248054) is 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is GNJRMSFCAYBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-12-4-2-3-5-13(12)19(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3.
What are the key properties of 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 113248054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).