4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium

C11H20N5S+ — CID 7140546

IUPAC4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium
SMILESC1CCC(n2nnnc2C[NH+]2CCSCC2)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/p+1
InChIKeySMOMAOLXRLPRSL-UHFFFAOYSA-O
MW254.38 g/mol
LogP-0.08
Rot. Bonds3

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

4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium (PubChem CID 7140546) has the molecular formula C11H20N5S+ and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium
PubChem CID7140546
Molecular FormulaC11H20N5S+
Molecular Weight254.38 g/mol
Exact Mass254.14
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium
SMILESC1CCC(n2nnnc2C[NH+]2CCSCC2)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/p+1
InChIKeySMOMAOLXRLPRSL-UHFFFAOYSA-O
XLogP-0.08
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-Cyclopentyltetrazol-5-yl)methyl]thiomorpholine
CID 1431583
1-[(1-Cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
CID 7125273
4-[(1-Tert-butyltetrazol-5-yl)methyl]thiomorpholin-4-ium
CID 7140542
4-[[1-(2-Methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7140543
4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
CID 7140552
4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
CID 7140553
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium
CID 7383705
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-ethylpiperazine-1,4-diium
CID 7383706
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium
CID 7383707
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium
CID 7383708
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-ethylpiperazine-1,4-diium
CID 7383726
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-ethylpiperazine-1,4-diium
CID 7383727

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium (CID 7140546) is 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium is C1CCC(n2nnnc2C[NH+]2CCSCC2)C1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
The InChIKey is SMOMAOLXRLPRSL-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium?
4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium has a molecular weight of 254.38 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium is sourced from PubChem (CID 7140546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).