3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

C17H19N5O2S — CID 2973118

IUPAC3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H19N5O2S/c23-15-11-14(16(24)21(15)12-7-3-1-4-8-12)25-17-18-19-20-22(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyJRUHCKDTQXYWJG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 2973118) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID2973118
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H19N5O2S/c23-15-11-14(16(24)21(15)12-7-3-1-4-8-12)25-17-18-19-20-22(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyJRUHCKDTQXYWJG-UHFFFAOYSA-N
XLogP2.60
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.60
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

1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-{3-[2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 645548
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739
1-{3-(morpholin-4-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}pyrrolidin-2-one
CID 659756
1-[4-[(1-Cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
N-(4-Dimethylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 855255
3-[(1-Methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione
CID 2967948

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 2973118) is 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is O=C1CC(Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is JRUHCKDTQXYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15-11-14(16(24)21(15)12-7-3-1-4-8-12)25-17-18-19-20-22(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2.
What are the key properties of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 357.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2973118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).