(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H22N2O3S — CID 119796383

IUPAC(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3S/c1-8-9(2)18(16,17)6-5-14(8)12(15)10-3-4-11(13)7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyUPZBRLHZNVFEJL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.15
Rot. Bonds1

About (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 119796383) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID119796383
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1C(C)S(=O)(=O)CCN1C(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3S/c1-8-9(2)18(16,17)6-5-14(8)12(15)10-3-4-11(13)7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyUPZBRLHZNVFEJL-UHFFFAOYSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119796384
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 66032292
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119330760
(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119807906
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119796376
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934209
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 119796383) is (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1C(C)S(=O)(=O)CCN1C(=O)C1CCC(N)C1.
What is the InChIKey of (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is UPZBRLHZNVFEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-8-9(2)18(16,17)6-5-14(8)12(15)10-3-4-11(13)7-10/h8-11H,3-7,13H2,1-2H3.
What are the key properties of (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 119796383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).