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

C13H22ClN5OS — CID 119774179

IUPAC(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl
InChIInChI=1S/C13H21N5OS.ClH/c1-10-8-17(6-7-20-10)13(19)12-9-18(16-15-12)11-2-4-14-5-3-11;/h9-11,14H,2-8H2,1H3;1H
InChIKeyDXIPADDXIBSGFR-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.20
Rot. Bonds2

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

(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (PubChem CID 119774179) has the molecular formula C13H22ClN5OS and a molecular weight of 331.87 g/mol. Its IUPAC name is (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
PubChem CID119774179
Molecular FormulaC13H22ClN5OS
Molecular Weight331.87 g/mol
Exact Mass331.12
IUPAC Name(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl
InChIInChI=1S/C13H21N5OS.ClH/c1-10-8-17(6-7-20-10)13(19)12-9-18(16-15-12)11-2-4-14-5-3-11;/h9-11,14H,2-8H2,1H3;1H
InChIKeyDXIPADDXIBSGFR-UHFFFAOYSA-N
XLogP1.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119791841
[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
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
[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
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030

Frequently Asked Questions

What is the IUPAC name of (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The IUPAC name of (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride (CID 119774179) is (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The canonical SMILES for (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is CC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCS1.Cl.
What is the InChIKey of (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
The InChIKey is DXIPADDXIBSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS.ClH/c1-10-8-17(6-7-20-10)13(19)12-9-18(16-15-12)11-2-4-14-5-3-11;/h9-11,14H,2-8H2,1H3;1H.
What are the key properties of (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride?
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119774179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).