(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride

C11H16ClN3OS — CID 119999097

IUPAC(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccc(N)n2)CCS1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-8-7-14(5-6-16-8)11(15)9-3-2-4-10(12)13-9;/h2-4,8H,5-7H2,1H3,(H2,12,13);1H
InChIKeyDWOCEKZFYVQWAD-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.66
Rot. Bonds1

About (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride

(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119999097) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119999097
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cccc(N)n2)CCS1.Cl
InChIInChI=1S/C11H15N3OS.ClH/c1-8-7-14(5-6-16-8)11(15)9-3-2-4-10(12)13-9;/h2-4,8H,5-7H2,1H3,(H2,12,13);1H
InChIKeyDWOCEKZFYVQWAD-UHFFFAOYSA-N
XLogP1.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113418713
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119999249
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
(2-iodo-6-methylphenyl)-[(2R)-2-methylthiomorpholin-4-yl]methanone
CID 97007221

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride (CID 119999097) is (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride is CC1CN(C(=O)c2cccc(N)n2)CCS1.Cl.
What is the InChIKey of (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is DWOCEKZFYVQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS.ClH/c1-8-7-14(5-6-16-8)11(15)9-3-2-4-10(12)13-9;/h2-4,8H,5-7H2,1H3,(H2,12,13);1H.
What are the key properties of (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 273.79 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119999097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).