(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

C14H19N3O2S2 — CID 99825469

IUPAC(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESC[C@H]1CN(CCSc2nnc(Cc3cccs3)o2)CCO1
InChIInChI=1S/C14H19N3O2S2/c1-11-10-17(4-6-18-11)5-8-21-14-16-15-13(19-14)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3/t11-/m0/s1
InChIKeyLSBPUKBXPRCRJI-NSHDSACASA-N
MW325.46 g/mol
LogP2.53
Rot. Bonds6

About (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (PubChem CID 99825469) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
PubChem CID99825469
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESC[C@H]1CN(CCSc2nnc(Cc3cccs3)o2)CCO1
InChIInChI=1S/C14H19N3O2S2/c1-11-10-17(4-6-18-11)5-8-21-14-16-15-13(19-14)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3/t11-/m0/s1
InChIKeyLSBPUKBXPRCRJI-NSHDSACASA-N
XLogP2.53
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-2-methylmorpholine
CID 99825478
N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62576088
[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
CID 111975971
2-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethyl]morpholine
CID 86818632
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
CID 99825262
2-[(2R)-2-phenylpropyl]-5-(2-thiomorpholin-4-ylethylsulfanyl)-1,3,4-oxadiazole
CID 97222518
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 71915302
2-(2-methylmorpholin-4-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134055238
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (CID 99825469) is (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is C[C@H]1CN(CCSc2nnc(Cc3cccs3)o2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The InChIKey is LSBPUKBXPRCRJI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-11-10-17(4-6-18-11)5-8-21-14-16-15-13(19-14)9-12-3-2-7-20-12/h2-3,7,11H,4-6,8-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
(2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine has a molecular weight of 325.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 99825469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).