4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C20H25N3OS — CID 6620033

IUPAC4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C20H25N3OS/c1-22(2)11-10-21-20(24)17-8-9-19-18(14-17)23(12-13-25-19)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyBGXNUWNHJBNHOJ-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.09
Rot. Bonds6

About 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6620033) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6620033
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C20H25N3OS/c1-22(2)11-10-21-20(24)17-8-9-19-18(14-17)23(12-13-25-19)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyBGXNUWNHJBNHOJ-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6620033) is 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is BGXNUWNHJBNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-22(2)11-10-21-20(24)17-8-9-19-18(14-17)23(12-13-25-19)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6620033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).