5-benzylsulfanyl-1-cyclopentyltetrazole

C13H16N4S — CID 47120921

IUPAC5-benzylsulfanyl-1-cyclopentyltetrazole
SMILESc1ccc(CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C13H16N4S/c1-2-6-11(7-3-1)10-18-13-14-15-16-17(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChIKeyHGYYTGXDAFLRJI-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.08
Rot. Bonds4

About 5-benzylsulfanyl-1-cyclopentyltetrazole

5-benzylsulfanyl-1-cyclopentyltetrazole (PubChem CID 47120921) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-cyclopentyltetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-cyclopentyltetrazole
PubChem CID47120921
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-benzylsulfanyl-1-cyclopentyltetrazole
SMILESc1ccc(CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C13H16N4S/c1-2-6-11(7-3-1)10-18-13-14-15-16-17(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChIKeyHGYYTGXDAFLRJI-UHFFFAOYSA-N
XLogP3.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-benzylsulfanyl-1-cyclopentyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 647032
5-Benzylselanyl-1-cyclohexyl-tetrazole
CID 90683039
5-(benzylsulfanyl)-1-methyl-1H-tetrazole
CID 2141459
1-Cyclopropyl-5-[[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole
CID 24240241
4-(((1-Cyclopropyl-1h-tetrazol-5-yl)thio)methyl)benzonitrile
CID 9205013
1H-Tetrazole, 5,5'-(1,3-phenylenebis(methylenethio))bis(1-(2-propenyl)-
CID 618575
5-Benzylsulfonyl-1-(2-methylpropyl)tetrazole
CID 9548451
2-[(1-Cyclopropyltetrazol-5-yl)sulfanylmethyl]benzonitrile
CID 9465545
5-Benzylsulfonyl-1-cyclohexyltetrazole
CID 9548444
1-Cyclohexyl-5-(2-phenylethylsulfonyl)tetrazole
CID 9548446
5-Benzylsulfanyl-1-t-butyltetrazole
CID 47124190
2-(5-(benzylthio)-1h-tetrazol-1-yl)-N,N-dimethylethanamine
CID 132426993

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-cyclopentyltetrazole?
The IUPAC name of 5-benzylsulfanyl-1-cyclopentyltetrazole (CID 47120921) is 5-benzylsulfanyl-1-cyclopentyltetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-cyclopentyltetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-cyclopentyltetrazole is c1ccc(CSc2nnnn2C2CCCC2)cc1.
What is the InChIKey of 5-benzylsulfanyl-1-cyclopentyltetrazole?
The InChIKey is HGYYTGXDAFLRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-6-11(7-3-1)10-18-13-14-15-16-17(13)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 5-benzylsulfanyl-1-cyclopentyltetrazole?
5-benzylsulfanyl-1-cyclopentyltetrazole has a molecular weight of 260.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-cyclopentyltetrazole is sourced from PubChem (CID 47120921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).