2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide

C14H26N6O2S — CID 26405634

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N6O2S/c1-11-7-19(8-12(2)22-11)9-13-16-17-18-20(13)10-14(21)15-5-4-6-23-3/h11-12H,4-10H2,1-3H3,(H,15,21)/t11-,12+
InChIKeyOODMCHLLHGJPGI-TXEJJXNPSA-N
MW342.47 g/mol
LogP0.15
Rot. Bonds8

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 26405634) has the molecular formula C14H26N6O2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide
PubChem CID26405634
Molecular FormulaC14H26N6O2S
Molecular Weight342.47 g/mol
Exact Mass342.18
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N6O2S/c1-11-7-19(8-12(2)22-11)9-13-16-17-18-20(13)10-14(21)15-5-4-6-23-3/h11-12H,4-10H2,1-3H3,(H,15,21)/t11-,12+
InChIKeyOODMCHLLHGJPGI-TXEJJXNPSA-N
XLogP0.15
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide (CID 26405634) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide is CSCCCNC(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is OODMCHLLHGJPGI-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H26N6O2S/c1-11-7-19(8-12(2)22-11)9-13-16-17-18-20(13)10-14(21)15-5-4-6-23-3/h11-12H,4-10H2,1-3H3,(H,15,21)/t11-,12+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 342.47 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 26405634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).