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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Related Compounds

N-cyclopentylsulfonyl-9-oxotricyclo[5.2.1.02,6]decane-8-sulfonamide
CID 146539235
9-methyltricyclo[5.2.1.02,6]decan-8-one
CID 71371178
2,16-ditert-butylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosane-12,26-dione
CID 123885939
(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
CID 3056028
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanylideneamino)aniline
CID 91942338
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
1a,1b,2,3,4,5,6,6a,7,7a-decahydrocyclopropa[a]azulen-1-one
CID 91232571

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).