N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

C15H22N2OS — CID 46352636

IUPACN,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1CC(C)Sc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-4-16(5-2)15(18)11-17-10-12(3)19-14-9-7-6-8-13(14)17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyXXKFHQVTHAQIKL-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.86
Rot. Bonds4

About N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide

N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (PubChem CID 46352636) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
PubChem CID46352636
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1CC(C)Sc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-4-16(5-2)15(18)11-17-10-12(3)19-14-9-7-6-8-13(14)17/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyXXKFHQVTHAQIKL-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55462539
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352663
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N-ethyl-2-methyl-N-[3-(methylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 167778592
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875295
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
N-(2,3-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875258
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 92875216
(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8850747

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide (CID 46352636) is N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is CCN(CC)C(=O)CN1CC(C)Sc2ccccc21.
What is the InChIKey of N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is XXKFHQVTHAQIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-16(5-2)15(18)11-17-10-12(3)19-14-9-7-6-8-13(14)17/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide?
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 46352636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).