2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone

C11H17NO3S — CID 146123755

IUPAC2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCCS1(=O)=O
InChIInChI=1S/C11H17NO3S/c13-11(12-4-1-5-16(12,14)15)10-7-8-2-3-9(10)6-8/h8-10H,1-7H2
InChIKeyXFXKQDVPYKDRHD-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds1

About 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone

2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (PubChem CID 146123755) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
PubChem CID146123755
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCCS1(=O)=O
InChIInChI=1S/C11H17NO3S/c13-11(12-4-1-5-16(12,14)15)10-7-8-2-3-9(10)6-8/h8-10H,1-7H2
InChIKeyXFXKQDVPYKDRHD-UHFFFAOYSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2-bicyclo[2.2.1]heptanyl(pyrazolidin-1-yl)methanone
CID 131123694
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
CID 130494486
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
CID 98763074

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (CID 146123755) is 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone is O=C(C1CC2CCC1C2)N1CCCS1(=O)=O.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The InChIKey is XFXKQDVPYKDRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-11(12-4-1-5-16(12,14)15)10-7-8-2-3-9(10)6-8/h8-10H,1-7H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone is sourced from PubChem (CID 146123755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).