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

C12H15Cl2NO2S — CID 43539267

IUPAC5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CCS(=O)(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NO2S/c1-7(2)15-10-5-6-18(16,17)12-9(14)4-3-8(13)11(10)12/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyBNNMLFNZGKHQCS-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.21
Rot. Bonds2

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

5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539267) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539267
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1CCS(=O)(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NO2S/c1-7(2)15-10-5-6-18(16,17)12-9(14)4-3-8(13)11(10)12/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyBNNMLFNZGKHQCS-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

5,8-dimethyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539087
6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
5,8-dichloro-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287710
5,8-dichloro-2-methyl-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537148
N,5,8-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539056
N-[(1S)-1-cyclohexylethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 81390967
N-[1-(3,4-dichlorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43082206
6,8-dichloro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43621794
5,8-dichloro-N-cyclopropyl-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 79414762
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 43539410

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539267) is 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is CC(C)NC1CCS(=O)(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BNNMLFNZGKHQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-7(2)15-10-5-6-18(16,17)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-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 308.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).