1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C15H20N6OS — CID 851622

IUPAC1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N6OS/c1-19-15(16-17-18-19)23-12-14(22)21-9-7-20(8-10-21)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyUCONFJFBLBYINZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.65
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 851622) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID851622
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N6OS/c1-19-15(16-17-18-19)23-12-14(22)21-9-7-20(8-10-21)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyUCONFJFBLBYINZ-UHFFFAOYSA-N
XLogP0.65
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2363010
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 645779
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9261962
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 2455593
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 9439245
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 9505208
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
N-(benzylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2091512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2460587

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 851622) is 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is UCONFJFBLBYINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-19-15(16-17-18-19)23-12-14(22)21-9-7-20(8-10-21)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 332.43 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 851622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).