2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide

C18H19NO2S — CID 3055370

IUPAC2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide
SMILESCCC(c1ccc2c(c1)Cc1ccccc1-2)S(=O)CC(N)=O
InChIInChI=1S/C18H19NO2S/c1-2-17(22(21)11-18(19)20)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11H2,1H3,(H2,19,20)
InChIKeyKGTZDUFDYTWUAG-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide

2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide (PubChem CID 3055370) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide
PubChem CID3055370
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide
SMILESCCC(c1ccc2c(c1)Cc1ccccc1-2)S(=O)CC(N)=O
InChIInChI=1S/C18H19NO2S/c1-2-17(22(21)11-18(19)20)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11H2,1H3,(H2,19,20)
InChIKeyKGTZDUFDYTWUAG-UHFFFAOYSA-N
XLogP2.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide?
The IUPAC name of 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide (CID 3055370) is 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide.
What is the SMILES notation for 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide?
The canonical SMILES for 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide is CCC(c1ccc2c(c1)Cc1ccccc1-2)S(=O)CC(N)=O.
What is the InChIKey of 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide?
The InChIKey is KGTZDUFDYTWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-2-17(22(21)11-18(19)20)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11H2,1H3,(H2,19,20).
What are the key properties of 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide?
2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide has a molecular weight of 313.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-fluoren-2-yl)propylsulfinyl]acetamide is sourced from PubChem (CID 3055370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).