2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide

C12H16N2O4S2 — CID 6471874

IUPAC2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCSCC2)cc1C(N)=O
InChIInChI=1S/C12H16N2O4S2/c1-18-11-3-2-9(8-10(11)12(13)15)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H2,13,15)
InChIKeyMJPMTIRVCYUWCU-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.53
Rot. Bonds4

About 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide

2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 6471874) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID6471874
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCSCC2)cc1C(N)=O
InChIInChI=1S/C12H16N2O4S2/c1-18-11-3-2-9(8-10(11)12(13)15)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H2,13,15)
InChIKeyMJPMTIRVCYUWCU-UHFFFAOYSA-N
XLogP0.53
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide (CID 6471874) is 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCSCC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is MJPMTIRVCYUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-18-11-3-2-9(8-10(11)12(13)15)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H2,13,15).
What are the key properties of 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide?
2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6471874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).