(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

C13H13N5O2S — CID 2036009

IUPAC(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Sc3nnnn3C)C2=O)cc1
InChIInChI=1S/C13H13N5O2S/c1-8-3-5-9(6-4-8)18-11(19)7-10(12(18)20)21-13-14-15-16-17(13)2/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyYDWSYEOBQAXQHW-SNVBAGLBSA-N
MW303.35 g/mol
LogP0.94
Rot. Bonds3

About (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2036009) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2036009
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Sc3nnnn3C)C2=O)cc1
InChIInChI=1S/C13H13N5O2S/c1-8-3-5-9(6-4-8)18-11(19)7-10(12(18)20)21-13-14-15-16-17(13)2/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyYDWSYEOBQAXQHW-SNVBAGLBSA-N
XLogP0.94
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
(3S)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1278127
1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 2936672
(3S)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1038336
(3S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1311200
(3S)-3-(1-methyltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 99829682
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2888961
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 53269691
N-[4-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-4-methylbenzamide
CID 23099559

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 2036009) is (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@@H](Sc3nnnn3C)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is YDWSYEOBQAXQHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-8-3-5-9(6-4-8)18-11(19)7-10(12(18)20)21-13-14-15-16-17(13)2/h3-6,10H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 303.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2036009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).