4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine

C9H17N5OS — CID 3193505

IUPAC4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine
SMILESCOCCn1nnnc1CN1CCSCC1
InChIInChI=1S/C9H17N5OS/c1-15-5-2-14-9(10-11-12-14)8-13-3-6-16-7-4-13/h2-8H2,1H3
InChIKeyQAINHFNEDUZPMY-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.13
Rot. Bonds5

About 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine

4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine (PubChem CID 3193505) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine
PubChem CID3193505
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine
SMILESCOCCn1nnnc1CN1CCSCC1
InChIInChI=1S/C9H17N5OS/c1-15-5-2-14-9(10-11-12-14)8-13-3-6-16-7-4-13/h2-8H2,1H3
InChIKeyQAINHFNEDUZPMY-UHFFFAOYSA-N
XLogP-0.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine (CID 3193505) is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine is COCCn1nnnc1CN1CCSCC1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine?
The InChIKey is QAINHFNEDUZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-15-5-2-14-9(10-11-12-14)8-13-3-6-16-7-4-13/h2-8H2,1H3.
What are the key properties of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine?
4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine has a molecular weight of 243.34 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholine is sourced from PubChem (CID 3193505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).