(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate

C11H11N4O2S- — CID 9484215

IUPAC(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
SMILESCc1ccc(-n2nnnc2S[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C11H12N4O2S/c1-7-3-5-9(6-4-7)15-11(12-13-14-15)18-8(2)10(16)17/h3-6,8H,1-2H3,(H,16,17)/p-1/t8-/m1/s1
InChIKeyDENBQUUXHYTLSP-MRVPVSSYSA-M
MW263.30 g/mol
LogP0.20
Rot. Bonds4

About (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate

(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate (PubChem CID 9484215) has the molecular formula C11H11N4O2S- and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate.

Molecular Properties

Compound Name(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
PubChem CID9484215
Molecular FormulaC11H11N4O2S-
Molecular Weight263.30 g/mol
Exact Mass263.06
IUPAC Name(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
SMILESCc1ccc(-n2nnnc2S[C@H](C)C(=O)[O-])cc1
InChIInChI=1S/C11H12N4O2S/c1-7-3-5-9(6-4-7)15-11(12-13-14-15)18-8(2)10(16)17/h3-6,8H,1-2H3,(H,16,17)/p-1/t8-/m1/s1
InChIKeyDENBQUUXHYTLSP-MRVPVSSYSA-M
XLogP0.20
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
(2R)-1-(4-ethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407742
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 78519772
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792
(2S)-N-carbamoyl-3-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 9407764
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407831
(2S)-N-(5-chloro-2-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462286
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate?
The IUPAC name of (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate (CID 9484215) is (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate.
What is the SMILES notation for (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate?
The canonical SMILES for (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate is Cc1ccc(-n2nnnc2S[C@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate?
The InChIKey is DENBQUUXHYTLSP-MRVPVSSYSA-M. The full InChI is InChI=1S/C11H12N4O2S/c1-7-3-5-9(6-4-7)15-11(12-13-14-15)18-8(2)10(16)17/h3-6,8H,1-2H3,(H,16,17)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate?
(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate has a molecular weight of 263.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate is sourced from PubChem (CID 9484215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).