(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H20N2O2S — CID 63046105

IUPAC(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCCC(C(=O)N2CCS(=O)CC2)C1
InChIInChI=1S/C11H20N2O2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h9-10H,1-8,12H2
InChIKeyUIIWSHZXUIIWCD-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.09
Rot. Bonds1

About (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 63046105) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID63046105
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNC1CCCC(C(=O)N2CCS(=O)CC2)C1
InChIInChI=1S/C11H20N2O2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h9-10H,1-8,12H2
InChIKeyUIIWSHZXUIIWCD-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 164653176
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 63046105) is (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is NC1CCCC(C(=O)N2CCS(=O)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is UIIWSHZXUIIWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-10-3-1-2-9(8-10)11(14)13-4-6-16(15)7-5-13/h9-10H,1-8,12H2.
What are the key properties of (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 244.36 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 63046105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).