CID 53427530

C10H15BiO4S — CID 53427530

IUPAC—
SMILESCC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2
InChIInChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyIXOCNACBGKRTOT-UHFFFAOYSA-M
MW440.27 g/mol
LogP0.81
Rot. Bonds3

About CID 53427530

CID 53427530 (PubChem CID 53427530) has the molecular formula C10H15BiO4S and a molecular weight of 440.27 g/mol.

Molecular Properties

Compound NameCID 53427530
PubChem CID53427530
Molecular FormulaC10H15BiO4S
Molecular Weight440.27 g/mol
Exact Mass440.05
IUPAC Name—
SMILESCC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2
InChIInChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyIXOCNACBGKRTOT-UHFFFAOYSA-M
XLogP0.81
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 53427530 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonyloxy-diethylstannyl] [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
CID 124629749
[methoxy(dimethyl)-λ4-sulfanyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 139975023
[(Z)-[(3E)-3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxyimino]butan-2-ylidene]amino] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 20811032
(2,5-dioxopyrrolidin-1-yl) [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
CID 15404531
CID 175872146
CID 175872146
piperidin-1-yl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 139462769
(2,5-dihydroxy-3,4-dimethylpyrrol-1-yl) (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 91603139
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;tetramethylazanium
CID 87130560
7,7-dimethyl-1-(methylsulfonylmethylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 158455361
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl (2S)-2-aminobutanoate
CID 174798881
[2,5-dioxo-3,4-di(propan-2-ylidene)pyrrolidin-1-yl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 89006828
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;oxalic acid
CID 87418219

Frequently Asked Questions

What is the IUPAC name of CID 53427530?
The IUPAC name of CID 53427530 (CID 53427530) is not available.
What is the SMILES notation for CID 53427530?
The canonical SMILES for CID 53427530 is CC1(C)C2CCC1(CS(=O)(=O)O[Bi])C(=O)C2.
What is the InChIKey of CID 53427530?
The InChIKey is IXOCNACBGKRTOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O4S.Bi/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of CID 53427530?
CID 53427530 has a molecular weight of 440.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53427530 is sourced from PubChem (CID 53427530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).