methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide

C11H16NO5S2- — CID 153487763

IUPACmethylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C11H16NO5S2/c1-18(14,15)12-19(16,17)11-9-5-8(10(11)13)6-3-2-4-7(6)9/h6-9,11H,2-5H2,1H3/q-1
InChIKeyFTZJULZRJFNETP-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.65
Rot. Bonds3

About methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide

methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide (PubChem CID 153487763) has the molecular formula C11H16NO5S2- and a molecular weight of 306.39 g/mol. Its IUPAC name is methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide.

Molecular Properties

Compound Namemethylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide
PubChem CID153487763
Molecular FormulaC11H16NO5S2-
Molecular Weight306.39 g/mol
Exact Mass306.05
IUPAC Namemethylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C1C(=O)C2CC1C1CCCC21
InChIInChI=1S/C11H16NO5S2/c1-18(14,15)12-19(16,17)11-9-5-8(10(11)13)6-3-2-4-7(6)9/h6-9,11H,2-5H2,1H3/q-1
InChIKeyFTZJULZRJFNETP-UHFFFAOYSA-N
XLogP0.65
TPSA99.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide?
The IUPAC name of methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide (CID 153487763) is methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide.
What is the SMILES notation for methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide?
The canonical SMILES for methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide is CS(=O)(=O)[N-]S(=O)(=O)C1C(=O)C2CC1C1CCCC21.
What is the InChIKey of methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide?
The InChIKey is FTZJULZRJFNETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO5S2/c1-18(14,15)12-19(16,17)11-9-5-8(10(11)13)6-3-2-4-7(6)9/h6-9,11H,2-5H2,1H3/q-1.
What are the key properties of methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide?
methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide has a molecular weight of 306.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl-[(9-oxo-8-tricyclo[5.2.1.02,6]decanyl)sulfonyl]azanide is sourced from PubChem (CID 153487763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).