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

C8H15ClN2O3S — CID 131086476

IUPAC[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCl.O=C([C@H]1CCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O3S.ClH/c11-8(7-1-2-9-7)10-3-5-14(12,13)6-4-10;/h7,9H,1-6H2;1H/t7-;/m1./s1
InChIKeyDVBDFTNDWWCTDE-OGFXRTJISA-N
MW254.74 g/mol
LogP-0.97
Rot. Bonds1

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

[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (PubChem CID 131086476) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
PubChem CID131086476
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Name[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
SMILESCl.O=C([C@H]1CCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O3S.ClH/c11-8(7-1-2-9-7)10-3-5-14(12,13)6-4-10;/h7,9H,1-6H2;1H/t7-;/m1./s1
InChIKeyDVBDFTNDWWCTDE-OGFXRTJISA-N
XLogP-0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119772982
azetidin-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 127007570
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475

Frequently Asked Questions

What is the IUPAC name of [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The IUPAC name of [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride (CID 131086476) is [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is Cl.O=C([C@H]1CCN1)N1CCS(=O)(=O)CC1.
What is the InChIKey of [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
The InChIKey is DVBDFTNDWWCTDE-OGFXRTJISA-N. The full InChI is InChI=1S/C8H14N2O3S.ClH/c11-8(7-1-2-9-7)10-3-5-14(12,13)6-4-10;/h7,9H,1-6H2;1H/t7-;/m1./s1.
What are the key properties of [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride?
[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 131086476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).