(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one

C11H15N3O3S2 — CID 95145854

IUPAC(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnc(NC[C@H]2CCCO2)s1
InChIInChI=1S/C11H15N3O3S2/c15-9-8(3-5-17-9)18-11-14-13-10(19-11)12-6-7-2-1-4-16-7/h7-8H,1-6H2,(H,12,13)/t7-,8-/m1/s1
InChIKeyGCAHJWQHJHPUCI-HTQZYQBOSA-N
MW301.39 g/mol
LogP1.54
Rot. Bonds5

About (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one

(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 95145854) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID95145854
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnc(NC[C@H]2CCCO2)s1
InChIInChI=1S/C11H15N3O3S2/c15-9-8(3-5-17-9)18-11-14-13-10(19-11)12-6-7-2-1-4-16-7/h7-8H,1-6H2,(H,12,13)/t7-,8-/m1/s1
InChIKeyGCAHJWQHJHPUCI-HTQZYQBOSA-N
XLogP1.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one with MolForge

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Related Compounds

(3R)-3-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one
CID 42000514
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-[[(2S)-oxolan-2-yl]methyl]-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 40811966
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 51258799
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 51258771
N-(2-methylpropyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51258901
4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enenitrile
CID 71848210
5-[(2-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46670484
5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 51091077
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 46692147
N-(oxolan-2-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 46540448
5-[[(3R)-1-methylpiperidin-3-yl]methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 124813826

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one (CID 95145854) is (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCC[C@H]1Sc1nnc(NC[C@H]2CCCO2)s1.
What is the InChIKey of (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is GCAHJWQHJHPUCI-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c15-9-8(3-5-17-9)18-11-14-13-10(19-11)12-6-7-2-1-4-16-7/h7-8H,1-6H2,(H,12,13)/t7-,8-/m1/s1.
What are the key properties of (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one?
(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 95145854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).