[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C14H21N3O3S2 — CID 129326717

IUPAC[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)o1
InChIInChI=1S/C14H21N3O3S2/c1-9(2)12-15-16-13(20-12)10-7-17(3-4-19-10)14(18)11-8-21-5-6-22-11/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyMQELUVNFCPKOFB-GHMZBOCLSA-N
MW343.47 g/mol
LogP1.94
Rot. Bonds3

About [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129326717) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129326717
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)o1
InChIInChI=1S/C14H21N3O3S2/c1-9(2)12-15-16-13(20-12)10-7-17(3-4-19-10)14(18)11-8-21-5-6-22-11/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyMQELUVNFCPKOFB-GHMZBOCLSA-N
XLogP1.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477357
(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 129476144
N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 128992225
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327146
(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477494
(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326690
(2R)-N-(6-methoxy-3-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129340331
2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
CID 129004700
(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128992090
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
3-(furan-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327171
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129326717) is [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CSCCS3)CCO2)o1.
What is the InChIKey of [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is MQELUVNFCPKOFB-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-9(2)12-15-16-13(20-12)10-7-17(3-4-19-10)14(18)11-8-21-5-6-22-11/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
[(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4-dithian-2-yl]-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129326717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).