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

C10H19ClN2O3S — CID 119772982

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1CCCCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12;/h9,11H,1-8H2;1H/t9-;/m1./s1
InChIKeyBYHBFUOUMJQTCP-SBSPUUFOSA-N
MW282.79 g/mol
LogP-0.19
Rot. Bonds1

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

(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride (PubChem CID 119772982) has the molecular formula C10H19ClN2O3S and a molecular weight of 282.79 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
PubChem CID119772982
Molecular FormulaC10H19ClN2O3S
Molecular Weight282.79 g/mol
Exact Mass282.08
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1CCCCN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12;/h9,11H,1-8H2;1H/t9-;/m1./s1
InChIKeyBYHBFUOUMJQTCP-SBSPUUFOSA-N
XLogP-0.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-azetidin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 131086476
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride (CID 119772982) is (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride is Cl.O=C([C@H]1CCCCN1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The InChIKey is BYHBFUOUMJQTCP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H18N2O3S.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12;/h9,11H,1-8H2;1H/t9-;/m1./s1.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
(1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride has a molecular weight of 282.79 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119772982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).