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

C14H24ClN5OS — CID 119791841

IUPAC(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl
InChIInChI=1S/C14H23N5OS.ClH/c1-14(2)10-18(7-8-21-14)13(20)12-9-19(17-16-12)11-3-5-15-6-4-11;/h9,11,15H,3-8,10H2,1-2H3;1H
InChIKeyDEPSIMMPHIXKQC-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.59
Rot. Bonds2

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

(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (PubChem CID 119791841) has the molecular formula C14H24ClN5OS and a molecular weight of 345.90 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
PubChem CID119791841
Molecular FormulaC14H24ClN5OS
Molecular Weight345.90 g/mol
Exact Mass345.14
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl
InChIInChI=1S/C14H23N5OS.ClH/c1-14(2)10-18(7-8-21-14)13(20)12-9-19(17-16-12)11-3-5-15-6-4-11;/h9,11,15H,3-8,10H2,1-2H3;1H
InChIKeyDEPSIMMPHIXKQC-UHFFFAOYSA-N
XLogP1.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
(2,2-dimethylthiomorpholin-4-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119791834
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[3-(2-methylpropoxy)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119821796
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (CID 119791841) is (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is CC1(C)CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The InChIKey is DEPSIMMPHIXKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS.ClH/c1-14(2)10-18(7-8-21-14)13(20)12-9-19(17-16-12)11-3-5-15-6-4-11;/h9,11,15H,3-8,10H2,1-2H3;1H.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.59, 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)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119791841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).