4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one

C13H19N3O2S — CID 43300198

IUPAC4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
SMILESNc1cccnc1SCCCC(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2S/c14-11-3-1-5-15-13(11)19-10-2-4-12(17)16-6-8-18-9-7-16/h1,3,5H,2,4,6-10,14H2
InChIKeyVCLLNXDQNONZQT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.39
Rot. Bonds5

About 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one

4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one (PubChem CID 43300198) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
PubChem CID43300198
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
SMILESNc1cccnc1SCCCC(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2S/c14-11-3-1-5-15-13(11)19-10-2-4-12(17)16-6-8-18-9-7-16/h1,3,5H,2,4,6-10,14H2
InChIKeyVCLLNXDQNONZQT-UHFFFAOYSA-N
XLogP1.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
4-(4-amino-3-chlorophenyl)sulfanyl-1-morpholin-4-ylbutan-1-one
CID 79149550
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
CID 67900368
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one (CID 43300198) is 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one is Nc1cccnc1SCCCC(=O)N1CCOCC1.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one?
The InChIKey is VCLLNXDQNONZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-11-3-1-5-15-13(11)19-10-2-4-12(17)16-6-8-18-9-7-16/h1,3,5H,2,4,6-10,14H2.
What are the key properties of 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one?
4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one has a molecular weight of 281.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 43300198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).