4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium

C15H28N5S+ — CID 7140552

IUPAC4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCSCC1
InChIInChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyBQJMPOJCNALREP-AWEZNQCLSA-O
MW310.49 g/mol
LogP1.51
Rot. Bonds4

About 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium

4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium (PubChem CID 7140552) has the molecular formula C15H28N5S+ and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
PubChem CID7140552
Molecular FormulaC15H28N5S+
Molecular Weight310.49 g/mol
Exact Mass310.21
IUPAC Name4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCSCC1
InChIInChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyBQJMPOJCNALREP-AWEZNQCLSA-O
XLogP1.51
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(1-Cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
CID 3193507
4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
CID 1431599
4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
CID 1431602
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
CID 6949776
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
CID 6949777
4-[[1-(2-Methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7140543
4-[(1-Cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium
CID 7140546
4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
CID 7140553
(3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium
CID 7140672
(3S)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidin-1-ium
CID 7140673
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-4-methylpiperazine-1,4-diium
CID 7140709
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-4-methylpiperazine-1,4-diium
CID 7140710

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium (CID 7140552) is 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium is CC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCSCC1.
What is the InChIKey of 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium?
The InChIKey is BQJMPOJCNALREP-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium?
4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium has a molecular weight of 310.49 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium is sourced from PubChem (CID 7140552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).