1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one

C14H20N2OS — CID 84639546

IUPAC1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
SMILESCCc1cccc2c1N(C(=O)CCNC)CCS2
InChIInChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(9-10-18-12)13(17)7-8-15-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyAWPARBRVSRHJLY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.30
Rot. Bonds4

About 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one

1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one (PubChem CID 84639546) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
PubChem CID84639546
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
SMILESCCc1cccc2c1N(C(=O)CCNC)CCS2
InChIInChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(9-10-18-12)13(17)7-8-15-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyAWPARBRVSRHJLY-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-7-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
CID 84646304
2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84639552
3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
4-(5-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 84643581
3-(tert-butylamino)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 61260770
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-4-oxobutanamide
CID 56564293
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N'-[2-(2-ethylphenoxy)acetyl]-4-oxobutanehydrazide
CID 56564420
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547
2-(5-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84628824
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202862

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one (CID 84639546) is 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one is CCc1cccc2c1N(C(=O)CCNC)CCS2.
What is the InChIKey of 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one?
The InChIKey is AWPARBRVSRHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-11-5-4-6-12-14(11)16(9-10-18-12)13(17)7-8-15-2/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one?
1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one has a molecular weight of 264.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 84639546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).