4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium

C15H21ClN5OS+ — CID 7140574

IUPAC4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
SMILESCOCCn1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCSCC1
InChIInChI=1S/C15H20ClN5OS/c1-22-9-6-21-15(17-18-19-21)14(20-7-10-23-11-8-20)12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3/p+1/t14-/m1/s1
InChIKeyYINGIBDBRNUKBV-CQSZACIVSA-O
MW354.89 g/mol
LogP0.69
Rot. Bonds6

About 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium

4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium (PubChem CID 7140574) has the molecular formula C15H21ClN5OS+ and a molecular weight of 354.89 g/mol. Its IUPAC name is 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
PubChem CID7140574
Molecular FormulaC15H21ClN5OS+
Molecular Weight354.89 g/mol
Exact Mass354.11
IUPAC Name4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
SMILESCOCCn1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCSCC1
InChIInChI=1S/C15H20ClN5OS/c1-22-9-6-21-15(17-18-19-21)14(20-7-10-23-11-8-20)12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3/p+1/t14-/m1/s1
InChIKeyYINGIBDBRNUKBV-CQSZACIVSA-O
XLogP0.69
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7391597
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-propylpiperazine-1,4-diium
CID 7140536
4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
CID 7388462
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-[(R)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7388484
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386
1-(2,3-dimethylphenyl)-4-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium
CID 7388423
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7388353

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium (CID 7140574) is 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium is COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCSCC1.
What is the InChIKey of 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The InChIKey is YINGIBDBRNUKBV-CQSZACIVSA-O. The full InChI is InChI=1S/C15H20ClN5OS/c1-22-9-6-21-15(17-18-19-21)14(20-7-10-23-11-8-20)12-2-4-13(16)5-3-12/h2-5,14H,6-11H2,1H3/p+1/t14-/m1/s1.
What are the key properties of 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium has a molecular weight of 354.89 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium is sourced from PubChem (CID 7140574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).