1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone

C10H17N5O3S — CID 90594232

IUPAC1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C10H17N5O3S/c1-8(2)6-19(17,18)9-3-14(4-9)10(16)5-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3
InChIKeyXNXMNADPENFJIN-UHFFFAOYSA-N
MW287.35 g/mol
LogP-1.05
Rot. Bonds5

About 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 90594232) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID90594232
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C10H17N5O3S/c1-8(2)6-19(17,18)9-3-14(4-9)10(16)5-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3
InChIKeyXNXMNADPENFJIN-UHFFFAOYSA-N
XLogP-1.05
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 90594232) is 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC(C)CS(=O)(=O)C1CN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is XNXMNADPENFJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-8(2)6-19(17,18)9-3-14(4-9)10(16)5-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 287.35 g/mol, XLogP of -1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 90594232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).