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

C16H22FN5S — CID 654208

IUPAC4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C16H22FN5S/c1-12(2)15(21-7-9-23-10-8-21)16-18-19-20-22(16)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyZZYTWDMPLKRDPU-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.61
Rot. Bonds5

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

4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine (PubChem CID 654208) has the molecular formula C16H22FN5S and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine
PubChem CID654208
Molecular FormulaC16H22FN5S
Molecular Weight335.45 g/mol
Exact Mass335.16
IUPAC Name4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCSCC1
InChIInChI=1S/C16H22FN5S/c1-12(2)15(21-7-9-23-10-8-21)16-18-19-20-22(16)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyZZYTWDMPLKRDPU-UHFFFAOYSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine?
The IUPAC name of 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine (CID 654208) is 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine.
What is the SMILES notation for 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine?
The canonical SMILES for 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine is CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCSCC1.
What is the InChIKey of 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine?
The InChIKey is ZZYTWDMPLKRDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5S/c1-12(2)15(21-7-9-23-10-8-21)16-18-19-20-22(16)11-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine?
4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine has a molecular weight of 335.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]thiomorpholine is sourced from PubChem (CID 654208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).