3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide

C11H15N3O2S — CID 112578510

IUPAC3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CCS(=O)CC1
InChIInChI=1S/C11H15N3O2S/c12-9-3-1-2-8(11(13)15)10(9)14-4-6-17(16)7-5-14/h1-3H,4-7,12H2,(H2,13,15)
InChIKeyHEQZZWCBZMDGJQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.06
Rot. Bonds2

About 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide

3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide (PubChem CID 112578510) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
PubChem CID112578510
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CCS(=O)CC1
InChIInChI=1S/C11H15N3O2S/c12-9-3-1-2-8(11(13)15)10(9)14-4-6-17(16)7-5-14/h1-3H,4-7,12H2,(H2,13,15)
InChIKeyHEQZZWCBZMDGJQ-UHFFFAOYSA-N
XLogP-0.06
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 130548096
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
CID 115935111
2-amino-3-(1-oxo-1,4-thiazinan-4-yl)benzoic acid
CID 115545411
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
3-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 112579159
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
3-amino-2-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 112578849
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 115935384
3-amino-N-hydroxy-2-piperazin-1-ylbenzamide
CID 86195266

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide?
The IUPAC name of 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide (CID 112578510) is 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide?
The canonical SMILES for 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide is NC(=O)c1cccc(N)c1N1CCS(=O)CC1.
What is the InChIKey of 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide?
The InChIKey is HEQZZWCBZMDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-9-3-1-2-8(11(13)15)10(9)14-4-6-17(16)7-5-14/h1-3H,4-7,12H2,(H2,13,15).
What are the key properties of 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide?
3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide has a molecular weight of 253.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide is sourced from PubChem (CID 112578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).