4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine

C11H19N5S — CID 1431583

IUPAC4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
SMILESC1CCC(n2nnnc2CN2CCSCC2)C1
InChIInChI=1S/C11H19N5S/c1-2-4-10(3-1)16-11(12-13-14-16)9-15-5-7-17-8-6-15/h10H,1-9H2
InChIKeySMOMAOLXRLPRSL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.34
Rot. Bonds3

About 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine

4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine (PubChem CID 1431583) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
PubChem CID1431583
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
SMILESC1CCC(n2nnnc2CN2CCSCC2)C1
InChIInChI=1S/C11H19N5S/c1-2-4-10(3-1)16-11(12-13-14-16)9-15-5-7-17-8-6-15/h10H,1-9H2
InChIKeySMOMAOLXRLPRSL-UHFFFAOYSA-N
XLogP1.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine (CID 1431583) is 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine is C1CCC(n2nnnc2CN2CCSCC2)C1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
The InChIKey is SMOMAOLXRLPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-2-4-10(3-1)16-11(12-13-14-16)9-15-5-7-17-8-6-15/h10H,1-9H2.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine?
4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine has a molecular weight of 253.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine is sourced from PubChem (CID 1431583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).