[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride

C9H17ClN2O2S — CID 131019720

IUPAC[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1CS(=O)CCN1C(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C9H16N2O2S.ClH/c1-7-6-14(13)5-4-11(7)9(12)8-2-3-10-8;/h7-8,10H,2-6H2,1H3;1H/t7?,8-,14?;/m1./s1
InChIKeyRMEQKIUSOAVYRY-VFXVUJRDSA-N
MW252.77 g/mol
LogP-0.25
Rot. Bonds1

About [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride

[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride (PubChem CID 131019720) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride
PubChem CID131019720
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC Name[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCC1CS(=O)CCN1C(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C9H16N2O2S.ClH/c1-7-6-14(13)5-4-11(7)9(12)8-2-3-10-8;/h7-8,10H,2-6H2,1H3;1H/t7?,8-,14?;/m1./s1
InChIKeyRMEQKIUSOAVYRY-VFXVUJRDSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
CID 130636739
[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 130747829
(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
CID 131160680
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
(2,4-dimethylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63103466

Frequently Asked Questions

What is the IUPAC name of [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The IUPAC name of [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride (CID 131019720) is [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride is CC1CS(=O)CCN1C(=O)[C@H]1CCN1.Cl.
What is the InChIKey of [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The InChIKey is RMEQKIUSOAVYRY-VFXVUJRDSA-N. The full InChI is InChI=1S/C9H16N2O2S.ClH/c1-7-6-14(13)5-4-11(7)9(12)8-2-3-10-8;/h7-8,10H,2-6H2,1H3;1H/t7?,8-,14?;/m1./s1.
What are the key properties of [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride has a molecular weight of 252.77 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 131019720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).