(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide

C14H17N3O2S — CID 103808228

IUPAC(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
SMILESO=C1CSc2ccc(NC(=O)[C@H]3CCCCN3)cc2N1
InChIInChI=1S/C14H17N3O2S/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h4-5,7,10,15H,1-3,6,8H2,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyGDSNKSXIGWTUFS-SNVBAGLBSA-N
MW291.38 g/mol
LogP1.81
Rot. Bonds2

About (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide

(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide (PubChem CID 103808228) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
PubChem CID103808228
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
SMILESO=C1CSc2ccc(NC(=O)[C@H]3CCCCN3)cc2N1
InChIInChI=1S/C14H17N3O2S/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h4-5,7,10,15H,1-3,6,8H2,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyGDSNKSXIGWTUFS-SNVBAGLBSA-N
XLogP1.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.81
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-[(3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549167
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
CID 119279066
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide (CID 103808228) is (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide is O=C1CSc2ccc(NC(=O)[C@H]3CCCCN3)cc2N1.
What is the InChIKey of (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide?
The InChIKey is GDSNKSXIGWTUFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h4-5,7,10,15H,1-3,6,8H2,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide?
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 103808228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).