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

C12H15Cl2NOS — CID 61287710

IUPAC5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CCS(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NOS/c1-7(2)15-10-5-6-17(16)12-9(14)4-3-8(13)11(10)12/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyCVAWGSQNUVHPFQ-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.54
Rot. Bonds2

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

5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61287710) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61287710
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CCS(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NOS/c1-7(2)15-10-5-6-17(16)12-9(14)4-3-8(13)11(10)12/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyCVAWGSQNUVHPFQ-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 61287710) is 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is CC(C)NC1CCS(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CVAWGSQNUVHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-7(2)15-10-5-6-17(16)12-9(14)4-3-8(13)11(10)12/h3-4,7,10,15H,5-6H2,1-2H3.
What are the key properties of 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 292.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61287710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).