morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone

C14H18N2O3S — CID 100733701

IUPACmorpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCOCC1
InChIInChI=1S/C14H18N2O3S/c17-14(16-4-6-18-7-5-16)11-1-3-15-13(9-11)19-12-2-8-20-10-12/h1,3,9,12H,2,4-8,10H2/t12-/m1/s1
InChIKeyVPTSGRZWOHAKFV-GFCCVEGCSA-N
MW294.38 g/mol
LogP1.44
Rot. Bonds3

About morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone

morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone (PubChem CID 100733701) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
PubChem CID100733701
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemorpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCOCC1
InChIInChI=1S/C14H18N2O3S/c17-14(16-4-6-18-7-5-16)11-1-3-15-13(9-11)19-12-2-8-20-10-12/h1,3,9,12H,2,4-8,10H2/t12-/m1/s1
InChIKeyVPTSGRZWOHAKFV-GFCCVEGCSA-N
XLogP1.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
pyrrolidin-1-yl-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 91625365
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
[(2R)-4-(2-cyclohexyloxypyridine-4-carbonyl)morpholin-2-yl]-cyclopropylmethanone
CID 99801024
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735448
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone (CID 100733701) is morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone is O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone?
The InChIKey is VPTSGRZWOHAKFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(16-4-6-18-7-5-16)11-1-3-15-13(9-11)19-12-2-8-20-10-12/h1,3,9,12H,2,4-8,10H2/t12-/m1/s1.
What are the key properties of morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone?
morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone has a molecular weight of 294.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone is sourced from PubChem (CID 100733701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).