N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide

C17H21N3O2S — CID 42695019

IUPACN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)C3CCC3)ccc2s1
InChIInChI=1S/C17H21N3O2S/c1-3-20(4-2)17-19-16(22)13-10-12(8-9-14(13)23-17)18-15(21)11-6-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,21)
InChIKeyQOEKJWVJGAQOGR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide

N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide (PubChem CID 42695019) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
PubChem CID42695019
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)C3CCC3)ccc2s1
InChIInChI=1S/C17H21N3O2S/c1-3-20(4-2)17-19-16(22)13-10-12(8-9-14(13)23-17)18-15(21)11-6-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,21)
InChIKeyQOEKJWVJGAQOGR-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
CID 46326852
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
CID 99825276
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide
CID 166390930
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide (CID 42695019) is N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide is CCN(CC)c1nc(=O)c2cc(NC(=O)C3CCC3)ccc2s1.
What is the InChIKey of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide?
The InChIKey is QOEKJWVJGAQOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-20(4-2)17-19-16(22)13-10-12(8-9-14(13)23-17)18-15(21)11-6-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide?
N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42695019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).