4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine

C12H17N3O3S2 — CID 61036898

IUPAC4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)N1CCOCC1)CCS2
InChIInChI=1S/C12H17N3O3S2/c13-10-1-2-12-11(9-10)15(5-8-19-12)20(16,17)14-3-6-18-7-4-14/h1-2,9H,3-8,13H2
InChIKeyWEPRKEYRCICMCT-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.76
Rot. Bonds2

About 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine

4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 61036898) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID61036898
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)N1CCOCC1)CCS2
InChIInChI=1S/C12H17N3O3S2/c13-10-1-2-12-11(9-10)15(5-8-19-12)20(16,17)14-3-6-18-7-4-14/h1-2,9H,3-8,13H2
InChIKeyWEPRKEYRCICMCT-UHFFFAOYSA-N
XLogP0.76
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine (CID 61036898) is 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(S(=O)(=O)N1CCOCC1)CCS2.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is WEPRKEYRCICMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c13-10-1-2-12-11(9-10)15(5-8-19-12)20(16,17)14-3-6-18-7-4-14/h1-2,9H,3-8,13H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine?
4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 315.42 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 61036898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).