5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole

C19H22N4OS — CID 71733763

IUPAC5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole
SMILESC[C@H](CCOCc1ccccc1)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C19H22N4OS/c1-16(12-13-24-14-17-8-4-2-5-9-17)15-25-19-20-21-22-23(19)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m1/s1
InChIKeyUNLFJSBOYUCORH-MRXNPFEDSA-N
MW354.48 g/mol
LogP4.00
Rot. Bonds9

About 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole

5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole (PubChem CID 71733763) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole
PubChem CID71733763
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole
SMILESC[C@H](CCOCc1ccccc1)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C19H22N4OS/c1-16(12-13-24-14-17-8-4-2-5-9-17)15-25-19-20-21-22-23(19)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m1/s1
InChIKeyUNLFJSBOYUCORH-MRXNPFEDSA-N
XLogP4.00
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
CID 123935280
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
(3R,7S)-3,7-dimethyl-1-[[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methoxy]-8-(1-phenyltetrazol-5-yl)sulfanyloct-5-yn-4-ol
CID 162538334
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64650163
2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
CID 60550847
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
2-ethoxy-4-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 63098592

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole?
The IUPAC name of 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole (CID 71733763) is 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole.
What is the SMILES notation for 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole?
The canonical SMILES for 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole is C[C@H](CCOCc1ccccc1)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole?
The InChIKey is UNLFJSBOYUCORH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-16(12-13-24-14-17-8-4-2-5-9-17)15-25-19-20-21-22-23(19)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole?
5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole has a molecular weight of 354.48 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole is sourced from PubChem (CID 71733763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).