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

C14H17N3O2S — CID 81124708

IUPAC(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)[C@H]3CCCNC3)cc2N1
InChIInChI=1S/C14H17N3O2S/c18-13-8-20-12-4-3-10(6-11(12)17-13)16-14(19)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyKAEVZVMTXFASOE-VIFPVBQESA-N
MW291.38 g/mol
LogP1.67
Rot. Bonds2

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

(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide (PubChem CID 81124708) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
PubChem CID81124708
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)[C@H]3CCCNC3)cc2N1
InChIInChI=1S/C14H17N3O2S/c18-13-8-20-12-4-3-10(6-11(12)17-13)16-14(19)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyKAEVZVMTXFASOE-VIFPVBQESA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
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
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide (CID 81124708) is (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide is O=C1CSc2ccc(NC(=O)[C@H]3CCCNC3)cc2N1.
What is the InChIKey of (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
The InChIKey is KAEVZVMTXFASOE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13-8-20-12-4-3-10(6-11(12)17-13)16-14(19)9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,19)(H,17,18)/t9-/m0/s1.
What are the key properties of (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide?
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81124708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).