(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one

C17H23N3O3S — CID 94797380

IUPAC(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
SMILESC[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O3S/c1-13(16(21)20-8-10-23-11-9-20)24-15-5-4-14(12-18-15)17(22)19-6-2-3-7-19/h4-5,12-13H,2-3,6-11H2,1H3/t13-/m1/s1
InChIKeyQBFOAIROPBBVKQ-CYBMUJFWSA-N
MW349.46 g/mol
LogP1.66
Rot. Bonds4

About (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one

(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one (PubChem CID 94797380) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
PubChem CID94797380
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
SMILESC[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O3S/c1-13(16(21)20-8-10-23-11-9-20)24-15-5-4-14(12-18-15)17(22)19-6-2-3-7-19/h4-5,12-13H,2-3,6-11H2,1H3/t13-/m1/s1
InChIKeyQBFOAIROPBBVKQ-CYBMUJFWSA-N
XLogP1.66
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one with MolForge

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Related Compounds

2,2-dimethyl-N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]propanamide
CID 55578497
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
N-[4-[(2S)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]butanamide
CID 51935162
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 137335621
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
CID 43028554
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one?
The IUPAC name of (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one (CID 94797380) is (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one.
What is the SMILES notation for (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one?
The canonical SMILES for (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one is C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one?
The InChIKey is QBFOAIROPBBVKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13(16(21)20-8-10-23-11-9-20)24-15-5-4-14(12-18-15)17(22)19-6-2-3-7-19/h4-5,12-13H,2-3,6-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one?
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one has a molecular weight of 349.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one is sourced from PubChem (CID 94797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).