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

C12H23ClN2O3S — CID 119807906

IUPAC(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCC(N)C2)CCS1(=O)=O.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-12(2)8-14(5-6-18(12,16)17)11(15)9-3-4-10(13)7-9;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyILKPCAVBTVQYIN-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.57
Rot. Bonds1

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

(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (PubChem CID 119807906) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
PubChem CID119807906
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCC(N)C2)CCS1(=O)=O.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-12(2)8-14(5-6-18(12,16)17)11(15)9-3-4-10(13)7-9;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyILKPCAVBTVQYIN-UHFFFAOYSA-N
XLogP0.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 66032292
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
CID 119807946
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 97226647
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
[(1S,3R)-3-aminocyclopentyl]-(4,4-difluoropiperidin-1-yl)methanone;hydrochloride
CID 154910969
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 119337416
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119796383
(3-aminocyclopentyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 66010680

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (CID 119807906) is (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is CC1(C)CN(C(=O)C2CCC(N)C2)CCS1(=O)=O.Cl.
What is the InChIKey of (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The InChIKey is ILKPCAVBTVQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c1-12(2)8-14(5-6-18(12,16)17)11(15)9-3-4-10(13)7-9;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119807906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).