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

C11H13N5OS — CID 25363493

IUPAC(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1S[C@H](C)C(N)=O
InChIInChI=1S/C11H13N5OS/c1-7-5-3-4-6-9(7)16-11(13-14-15-16)18-8(2)10(12)17/h3-6,8H,1-2H3,(H2,12,17)/t8-/m1/s1
InChIKeyQTKCQMBLFSQLOF-MRVPVSSYSA-N
MW263.33 g/mol
LogP0.94
Rot. Bonds4

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

(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 25363493) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID25363493
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1S[C@H](C)C(N)=O
InChIInChI=1S/C11H13N5OS/c1-7-5-3-4-6-9(7)16-11(13-14-15-16)18-8(2)10(12)17/h3-6,8H,1-2H3,(H2,12,17)/t8-/m1/s1
InChIKeyQTKCQMBLFSQLOF-MRVPVSSYSA-N
XLogP0.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8521893
(2R)-1-(4-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7646996
N-cyclopentyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650668
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16508706
(2S)-N-benzyl-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646715
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
(2R)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646116
N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508705
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7646738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 25363493) is (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccccc1-n1nnnc1S[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is QTKCQMBLFSQLOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-5-3-4-6-9(7)16-11(13-14-15-16)18-8(2)10(12)17/h3-6,8H,1-2H3,(H2,12,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 25363493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).