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

C14H27N5S — CID 647831

IUPAC4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCSCC1
InChIInChI=1S/C14H27N5S/c1-6-14(4,5)19-13(15-16-17-19)12(11(2)3)18-7-9-20-10-8-18/h11-12H,6-10H2,1-5H3
InChIKeyUWWBBLYLXSJASC-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.56
Rot. Bonds5

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

4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine (PubChem CID 647831) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine
PubChem CID647831
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCSCC1
InChIInChI=1S/C14H27N5S/c1-6-14(4,5)19-13(15-16-17-19)12(11(2)3)18-7-9-20-10-8-18/h11-12H,6-10H2,1-5H3
InChIKeyUWWBBLYLXSJASC-UHFFFAOYSA-N
XLogP2.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine?
The IUPAC name of 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine (CID 647831) is 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine.
What is the SMILES notation for 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine?
The canonical SMILES for 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine is CCC(C)(C)n1nnnc1C(C(C)C)N1CCSCC1.
What is the InChIKey of 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine?
The InChIKey is UWWBBLYLXSJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-6-14(4,5)19-13(15-16-17-19)12(11(2)3)18-7-9-20-10-8-18/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine?
4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine has a molecular weight of 297.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]thiomorpholine is sourced from PubChem (CID 647831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).