6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

C14H20BrNOS — CID 79415107

IUPAC6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1c2cc(Br)ccc2S(=O)C(C)C1C
InChIInChI=1S/C14H20BrNOS/c1-8(2)16-14-9(3)10(4)18(17)13-6-5-11(15)7-12(13)14/h5-10,14,16H,1-4H3
InChIKeyMIIORHYYGBOHIB-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.63
Rot. Bonds2

About 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79415107) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79415107
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)NC1c2cc(Br)ccc2S(=O)C(C)C1C
InChIInChI=1S/C14H20BrNOS/c1-8(2)16-14-9(3)10(4)18(17)13-6-5-11(15)7-12(13)14/h5-10,14,16H,1-4H3
InChIKeyMIIORHYYGBOHIB-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 79415107) is 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is CC(C)NC1c2cc(Br)ccc2S(=O)C(C)C1C.
What is the InChIKey of 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MIIORHYYGBOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-8(2)16-14-9(3)10(4)18(17)13-6-5-11(15)7-12(13)14/h5-10,14,16H,1-4H3.
What are the key properties of 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 330.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79415107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).