6-(ethylamino)-4H-1,4-benzothiazin-3-one

C10H12N2OS — CID 43229079

IUPAC6-(ethylamino)-4H-1,4-benzothiazin-3-one
SMILESCCNc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H12N2OS/c1-2-11-7-3-4-9-8(5-7)12-10(13)6-14-9/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyKEJHJQRSFPUJDW-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.16
Rot. Bonds2

About 6-(ethylamino)-4H-1,4-benzothiazin-3-one

6-(ethylamino)-4H-1,4-benzothiazin-3-one (PubChem CID 43229079) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-(ethylamino)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(ethylamino)-4H-1,4-benzothiazin-3-one
PubChem CID43229079
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-(ethylamino)-4H-1,4-benzothiazin-3-one
SMILESCCNc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H12N2OS/c1-2-11-7-3-4-9-8(5-7)12-10(13)6-14-9/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyKEJHJQRSFPUJDW-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
6-(octylamino)-4H-1,4-benzothiazin-3-one
CID 43723115
6-(hexylamino)-4H-1,4-benzothiazin-3-one
CID 43229078
6-[(3-hydroxy-2,2-dimethylpropyl)amino]-4H-1,4-benzothiazin-3-one
CID 81411832
6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
6-[[2-methyl-1-(methylamino)propan-2-yl]amino]-4H-1,4-benzothiazin-3-one
CID 115132465
6-[(3,5-difluorophenyl)methylamino]-4H-1,4-benzothiazin-3-one
CID 103851322
6-(4-aminopentylamino)-4H-1,4-benzothiazin-3-one
CID 115203617
6-[(1-methylpyrrol-2-yl)methylamino]-4H-1,4-benzothiazin-3-one
CID 55024880
6-[(4-amino-2-methylbutyl)amino]-4H-1,4-benzothiazin-3-one
CID 115202348
6-[(4-chloro-2-methylphenyl)methylamino]-4H-1,4-benzothiazin-3-one
CID 104854013

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(ethylamino)-4H-1,4-benzothiazin-3-one (CID 43229079) is 6-(ethylamino)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(ethylamino)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(ethylamino)-4H-1,4-benzothiazin-3-one is CCNc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(ethylamino)-4H-1,4-benzothiazin-3-one?
The InChIKey is KEJHJQRSFPUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-11-7-3-4-9-8(5-7)12-10(13)6-14-9/h3-5,11H,2,6H2,1H3,(H,12,13).
What are the key properties of 6-(ethylamino)-4H-1,4-benzothiazin-3-one?
6-(ethylamino)-4H-1,4-benzothiazin-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 43229079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).