3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one

C15H18N4OS — CID 115659166

IUPAC3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
SMILESO=C(CCSc1nnnn1C1CCCC1)c1ccccc1
InChIInChI=1S/C15H18N4OS/c20-14(12-6-2-1-3-7-12)10-11-21-15-16-17-18-19(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyWRTKHEHNGCTUTN-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds6

About 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one (PubChem CID 115659166) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
PubChem CID115659166
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
SMILESO=C(CCSc1nnnn1C1CCCC1)c1ccccc1
InChIInChI=1S/C15H18N4OS/c20-14(12-6-2-1-3-7-12)10-11-21-15-16-17-18-19(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyWRTKHEHNGCTUTN-UHFFFAOYSA-N
XLogP3.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one 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

3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 1440826
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 38841877
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
CID 9473318
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide
CID 32581346
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-iodophenyl)ethanone
CID 27096704
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one (CID 115659166) is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one is O=C(CCSc1nnnn1C1CCCC1)c1ccccc1.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one?
The InChIKey is WRTKHEHNGCTUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(12-6-2-1-3-7-12)10-11-21-15-16-17-18-19(15)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one?
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one has a molecular weight of 302.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 115659166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).