2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide

C15H17ClN2O2S — CID 33380084

IUPAC2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
SMILESO=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC1CCC1
InChIInChI=1S/C15H17ClN2O2S/c16-10-4-5-12-11(6-10)18-15(20)13(21-12)7-14(19)17-8-9-2-1-3-9/h4-6,9,13H,1-3,7-8H2,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyJZHZHYWCLCOFCE-ZDUSSCGKSA-N
MW324.83 g/mol
LogP3.06
Rot. Bonds4

About 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide

2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide (PubChem CID 33380084) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
PubChem CID33380084
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
SMILESO=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC1CCC1
InChIInChI=1S/C15H17ClN2O2S/c16-10-4-5-12-11(6-10)18-15(20)13(21-12)7-14(19)17-8-9-2-1-3-9/h4-6,9,13H,1-3,7-8H2,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyJZHZHYWCLCOFCE-ZDUSSCGKSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(cyclobutylmethyl)acetamide
CID 51078953
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460553
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119555663
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 124731135
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 26012500
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 119495535
N-[1-(aminomethyl)cyclopentyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide;hydrochloride
CID 119565386
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide;hydrochloride
CID 119495534
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide?
The IUPAC name of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide (CID 33380084) is 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide is O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC1CCC1.
What is the InChIKey of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide?
The InChIKey is JZHZHYWCLCOFCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-10-4-5-12-11(6-10)18-15(20)13(21-12)7-14(19)17-8-9-2-1-3-9/h4-6,9,13H,1-3,7-8H2,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide?
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide has a molecular weight of 324.83 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide is sourced from PubChem (CID 33380084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).