(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

C15H26ClN5OS — CID 119791834

IUPAC(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCSC(C)(C)C2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H25N5OS.ClH/c1-11-13(14(21)19-8-9-22-15(2,3)10-19)17-18-20(11)12-4-6-16-7-5-12;/h12,16H,4-10H2,1-3H3;1H
InChIKeyQHOHQEOKOYUAIX-UHFFFAOYSA-N
MW359.93 g/mol
LogP1.90
Rot. Bonds2

About (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride

(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (PubChem CID 119791834) has the molecular formula C15H26ClN5OS and a molecular weight of 359.93 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
PubChem CID119791834
Molecular FormulaC15H26ClN5OS
Molecular Weight359.93 g/mol
Exact Mass359.15
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCSC(C)(C)C2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C15H25N5OS.ClH/c1-11-13(14(21)19-8-9-22-15(2,3)10-19)17-18-20(11)12-4-6-16-7-5-12;/h12,16H,4-10H2,1-3H3;1H
InChIKeyQHOHQEOKOYUAIX-UHFFFAOYSA-N
XLogP1.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119804279
(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119791841
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119821786
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697610
[4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119831869
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721578
[3-(azepan-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (CID 119791834) is (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is Cc1c(C(=O)N2CCSC(C)(C)C2)nnn1C1CCNCC1.Cl.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The InChIKey is QHOHQEOKOYUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS.ClH/c1-11-13(14(21)19-8-9-22-15(2,3)10-19)17-18-20(11)12-4-6-16-7-5-12;/h12,16H,4-10H2,1-3H3;1H.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride has a molecular weight of 359.93 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119791834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).