1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

C14H17N3O4S2 — CID 22550008

IUPAC1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C14H17N3O4S2/c15-14(19)9-3-5-17(6-4-9)23(20,21)10-1-2-12-11(7-10)16-13(18)8-22-12/h1-2,7,9H,3-6,8H2,(H2,15,19)(H,16,18)
InChIKeyWOYVMZBUYVLMKD-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.62
Rot. Bonds3

About 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 22550008) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID22550008
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C14H17N3O4S2/c15-14(19)9-3-5-17(6-4-9)23(20,21)10-1-2-12-11(7-10)16-13(18)8-22-12/h1-2,7,9H,3-6,8H2,(H2,15,19)(H,16,18)
InChIKeyWOYVMZBUYVLMKD-UHFFFAOYSA-N
XLogP0.62
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20926958
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-4-carboxamide
CID 110764904
6-(4-butan-2-ylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 22550072
1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 110675383
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxamide
CID 4842542
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506095
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
7-(4-cyclohexylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 20927704
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
6-[(2,6-dichlorophenyl)methylsulfonyl]-4H-1,4-benzothiazin-3-one
CID 90074925
7-(3-methylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 20927696

Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 22550008) is 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is WOYVMZBUYVLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c15-14(19)9-3-5-17(6-4-9)23(20,21)10-1-2-12-11(7-10)16-13(18)8-22-12/h1-2,7,9H,3-6,8H2,(H2,15,19)(H,16,18).
What are the key properties of 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide?
1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 22550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).