N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine

C13H19NS — CID 79414864

IUPACN,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cc(C)ccc2SC(C)C1C
InChIInChI=1S/C13H19NS/c1-8-5-6-12-11(7-8)13(14-4)9(2)10(3)15-12/h5-7,9-10,13-14H,1-4H3
InChIKeyDLPVVEMVFXHFIF-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.39
Rot. Bonds1

About N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine

N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79414864) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79414864
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1c2cc(C)ccc2SC(C)C1C
InChIInChI=1S/C13H19NS/c1-8-5-6-12-11(7-8)13(14-4)9(2)10(3)15-12/h5-7,9-10,13-14H,1-4H3
InChIKeyDLPVVEMVFXHFIF-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 79414864) is N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine is CNC1c2cc(C)ccc2SC(C)C1C.
What is the InChIKey of N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DLPVVEMVFXHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-8-5-6-12-11(7-8)13(14-4)9(2)10(3)15-12/h5-7,9-10,13-14H,1-4H3.
What are the key properties of N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine?
N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79414864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).