2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone

C12H17N3O2S — CID 43301826

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSc2ccc(N)nc2)CCO1
InChIInChI=1S/C12H17N3O2S/c1-9-7-15(4-5-17-9)12(16)8-18-10-2-3-11(13)14-6-10/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,14)
InChIKeyHVULGTHWFBSDMN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.00
Rot. Bonds3

About 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone

2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 43301826) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID43301826
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSc2ccc(N)nc2)CCO1
InChIInChI=1S/C12H17N3O2S/c1-9-7-15(4-5-17-9)12(16)8-18-10-2-3-11(13)14-6-10/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,14)
InChIKeyHVULGTHWFBSDMN-UHFFFAOYSA-N
XLogP1.00
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 24577928
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 43213316
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
1-(2-methylmorpholin-4-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 24578006
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 81209125
4-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 47134765
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 24670163
2-(5-amino-2-pyridinyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 107338725
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 41460013
2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62498335

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone (CID 43301826) is 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CSc2ccc(N)nc2)CCO1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is HVULGTHWFBSDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-15(4-5-17-9)12(16)8-18-10-2-3-11(13)14-6-10/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,14).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 267.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43301826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).