1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

C9H15N5O3S — CID 90586493

IUPAC1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)8-2-4-13(5-3-8)9(15)6-14-7-10-11-12-14/h7-8H,2-6H2,1H3
InChIKeyAFQPMTMOKLLUGO-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.29
Rot. Bonds3

About 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 90586493) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID90586493
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)8-2-4-13(5-3-8)9(15)6-14-7-10-11-12-14/h7-8H,2-6H2,1H3
InChIKeyAFQPMTMOKLLUGO-UHFFFAOYSA-N
XLogP-1.29
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 90586493) is 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is CS(=O)(=O)C1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is AFQPMTMOKLLUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-18(16,17)8-2-4-13(5-3-8)9(15)6-14-7-10-11-12-14/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 273.32 g/mol, XLogP of -1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 90586493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).