6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one

C13H16N2OS — CID 82480367

IUPAC6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(CCNC3CC3)cc2N1
InChIInChI=1S/C13H16N2OS/c16-13-8-17-12-4-1-9(7-11(12)15-13)5-6-14-10-2-3-10/h1,4,7,10,14H,2-3,5-6,8H2,(H,15,16)
InChIKeyMATBUCNEFYSUIW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.03
Rot. Bonds4

About 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one

6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 82480367) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID82480367
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(CCNC3CC3)cc2N1
InChIInChI=1S/C13H16N2OS/c16-13-8-17-12-4-1-9(7-11(12)15-13)5-6-14-10-2-3-10/h1,4,7,10,14H,2-3,5-6,8H2,(H,15,16)
InChIKeyMATBUCNEFYSUIW-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
6-[2-(sulfanylmethylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 115228287
1-cyclopentyl-3-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]urea
CID 110776133
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide
CID 110790797
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
CID 110790838
3-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethylamino]propanenitrile
CID 115231132
2,2-dimethyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]propanamide
CID 110790796
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
CID 115259622
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one (CID 82480367) is 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(CCNC3CC3)cc2N1.
What is the InChIKey of 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is MATBUCNEFYSUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13-8-17-12-4-1-9(7-11(12)15-13)5-6-14-10-2-3-10/h1,4,7,10,14H,2-3,5-6,8H2,(H,15,16).
What are the key properties of 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one?
6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 248.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 82480367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).