(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride

C12H23ClN2OS — CID 119791833

IUPAC(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)[C@H]2CCCCN2)CCS1.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-12(2)9-14(7-8-16-12)11(15)10-5-3-4-6-13-10;/h10,13H,3-9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyCTUNPXNXRLPGTR-HNCPQSOCSA-N
MW278.85 g/mol
LogP1.90
Rot. Bonds1

About (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride

(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride (PubChem CID 119791833) has the molecular formula C12H23ClN2OS and a molecular weight of 278.85 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
PubChem CID119791833
Molecular FormulaC12H23ClN2OS
Molecular Weight278.85 g/mol
Exact Mass278.12
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)[C@H]2CCCCN2)CCS1.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-12(2)9-14(7-8-16-12)11(15)10-5-3-4-6-13-10;/h10,13H,3-9H2,1-2H3;1H/t10-;/m1./s1
InChIKeyCTUNPXNXRLPGTR-HNCPQSOCSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.85
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(2,2-dimethylthiomorpholin-4-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119328219

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride (CID 119791833) is (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride is CC1(C)CN(C(=O)[C@H]2CCCCN2)CCS1.Cl.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
The InChIKey is CTUNPXNXRLPGTR-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H22N2OS.ClH/c1-12(2)9-14(7-8-16-12)11(15)10-5-3-4-6-13-10;/h10,13H,3-9H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride?
(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride has a molecular weight of 278.85 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119791833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).