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

C13H19NOS — CID 61288315

IUPACN,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2c(C)ccc(C)c2S(=O)CC1C
InChIInChI=1S/C13H19NOS/c1-8-5-6-9(2)13-11(8)12(14-4)10(3)7-16(13)15/h5-6,10,12,14H,7H2,1-4H3
InChIKeyJSXNQQAUMJJPNM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.32
Rot. Bonds1

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

N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288315) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288315
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2c(C)ccc(C)c2S(=O)CC1C
InChIInChI=1S/C13H19NOS/c1-8-5-6-9(2)13-11(8)12(14-4)10(3)7-16(13)15/h5-6,10,12,14H,7H2,1-4H3
InChIKeyJSXNQQAUMJJPNM-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61288315) is N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is CNC1c2c(C)ccc(C)c2S(=O)CC1C.
What is the InChIKey of N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JSXNQQAUMJJPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-8-5-6-9(2)13-11(8)12(14-4)10(3)7-16(13)15/h5-6,10,12,14H,7H2,1-4H3.
What are the key properties of N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).