3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide

C18H19NOS — CID 12050636

IUPAC3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NOS/c1-19(2)17(20)11-12-21-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3
InChIKeyZGCGVKQWSYXJLS-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.97
Rot. Bonds4

About 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide

3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide (PubChem CID 12050636) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide
PubChem CID12050636
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NOS/c1-19(2)17(20)11-12-21-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3
InChIKeyZGCGVKQWSYXJLS-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide (CID 12050636) is 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide is CN(C)C(=O)CCSC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide?
The InChIKey is ZGCGVKQWSYXJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19(2)17(20)11-12-21-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide?
3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylsulfanyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 12050636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).