1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone

C12H19N5O3S — CID 71809334

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19N5O3S/c18-12(8-17-9-13-14-15-17)16-6-11(7-16)21(19,20)10-4-2-1-3-5-10/h9-11H,1-8H2
InChIKeyIJTLNCUXITUTNA-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.37
Rot. Bonds4

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 71809334) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID71809334
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19N5O3S/c18-12(8-17-9-13-14-15-17)16-6-11(7-16)21(19,20)10-4-2-1-3-5-10/h9-11H,1-8H2
InChIKeyIJTLNCUXITUTNA-UHFFFAOYSA-N
XLogP-0.37
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 71809334) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is IJTLNCUXITUTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c18-12(8-17-9-13-14-15-17)16-6-11(7-16)21(19,20)10-4-2-1-3-5-10/h9-11H,1-8H2.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 313.38 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 71809334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).