N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine

C15H17N3O2S — CID 97030115

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine
SMILESCCSc1cncc(NC[C@@H]2COc3ccccc3O2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-21-15-9-16-8-14(18-15)17-7-11-10-19-12-5-3-4-6-13(12)20-11/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyYEZWENSJOBRCSN-LLVKDONJSA-N
MW303.39 g/mol
LogP2.84
Rot. Bonds5

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine (PubChem CID 97030115) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine
PubChem CID97030115
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine
SMILESCCSc1cncc(NC[C@@H]2COc3ccccc3O2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-21-15-9-16-8-14(18-15)17-7-11-10-19-12-5-3-4-6-13(12)20-11/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyYEZWENSJOBRCSN-LLVKDONJSA-N
XLogP2.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methylmethanamine
CID 77091119
6-chloro-4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidine-2,4-diamine
CID 42943703
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
CID 134706887
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2998477
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine (CID 97030115) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine is CCSc1cncc(NC[C@@H]2COc3ccccc3O2)n1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine?
The InChIKey is YEZWENSJOBRCSN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-21-15-9-16-8-14(18-15)17-7-11-10-19-12-5-3-4-6-13(12)20-11/h3-6,8-9,11H,2,7,10H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine has a molecular weight of 303.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine is sourced from PubChem (CID 97030115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).