5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C12H13Cl2NOS — CID 61287711

IUPAC5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1CCC(NC2CC2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H13Cl2NOS/c13-8-3-4-9(14)12-11(8)10(5-6-17(12)16)15-7-1-2-7/h3-4,7,10,15H,1-2,5-6H2
InChIKeyRBUWUSDJVMKFCD-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.30
Rot. Bonds2

About 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61287711) has the molecular formula C12H13Cl2NOS and a molecular weight of 290.21 g/mol. Its IUPAC name is 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61287711
Molecular FormulaC12H13Cl2NOS
Molecular Weight290.21 g/mol
Exact Mass289.01
IUPAC Name5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1CCC(NC2CC2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H13Cl2NOS/c13-8-3-4-9(14)12-11(8)10(5-6-17(12)16)15-7-1-2-7/h3-4,7,10,15H,1-2,5-6H2
InChIKeyRBUWUSDJVMKFCD-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61287711) is 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is O=S1CCC(NC2CC2)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RBUWUSDJVMKFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NOS/c13-8-3-4-9(14)12-11(8)10(5-6-17(12)16)15-7-1-2-7/h3-4,7,10,15H,1-2,5-6H2.
What are the key properties of 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 290.21 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N-cyclopropyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61287711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).