2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C13H17N7O2S — CID 122161043

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCn1nnnc1SCC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C13H17N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-2-3-10(7-20)22-11-4-5-14-9-15-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPUJVWTMOKRGFQS-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.16
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122161043) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122161043
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCn1nnnc1SCC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C13H17N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-2-3-10(7-20)22-11-4-5-14-9-15-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPUJVWTMOKRGFQS-UHFFFAOYSA-N
XLogP0.16
TPSA98.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone 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-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 90639013
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
6-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248620
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
3-[1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636457
1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
CID 122160256
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 122161043) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is Cn1nnnc1SCC(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is PUJVWTMOKRGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2S/c1-19-13(16-17-18-19)23-8-12(21)20-6-2-3-10(7-20)22-11-4-5-14-9-15-11/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 335.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122161043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).