6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide

C14H15N3O3S — CID 112728654

IUPAC6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CN1
InChIInChI=1S/C14H15N3O3S/c18-12-4-1-8(6-15-12)14(20)16-9-2-3-11-10(5-9)17-13(19)7-21-11/h2-3,5,8H,1,4,6-7H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyKTDGNTWSOKBSLV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.20
Rot. Bonds2

About 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide

6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide (PubChem CID 112728654) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
PubChem CID112728654
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CN1
InChIInChI=1S/C14H15N3O3S/c18-12-4-1-8(6-15-12)14(20)16-9-2-3-11-10(5-9)17-13(19)7-21-11/h2-3,5,8H,1,4,6-7H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyKTDGNTWSOKBSLV-UHFFFAOYSA-N
XLogP1.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
3-[(3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549167
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide (CID 112728654) is 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CN1.
What is the InChIKey of 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The InChIKey is KTDGNTWSOKBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12-4-1-8(6-15-12)14(20)16-9-2-3-11-10(5-9)17-13(19)7-21-11/h2-3,5,8H,1,4,6-7H2,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 112728654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).