7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine

C12H19NO2S — CID 135160215

IUPAC7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
SMILESCN(C)c1sc(C(C)(C)C)c2c1OCCO2
InChIInChI=1S/C12H19NO2S/c1-12(2,3)10-8-9(15-7-6-14-8)11(16-10)13(4)5/h6-7H2,1-5H3
InChIKeyDYXGOAZWNPZUMO-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.88
Rot. Bonds1

About 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine

7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine (PubChem CID 135160215) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine.

Molecular Properties

Compound Name7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
PubChem CID135160215
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
SMILESCN(C)c1sc(C(C)(C)C)c2c1OCCO2
InChIInChI=1S/C12H19NO2S/c1-12(2,3)10-8-9(15-7-6-14-8)11(16-10)13(4)5/h6-7H2,1-5H3
InChIKeyDYXGOAZWNPZUMO-UHFFFAOYSA-N
XLogP2.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134312892
5,7-bis[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)butan-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70848995
3,7-bis[4-(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]furo[2,3-f][1]benzofuran-2,6-dione
CID 123953289
N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
CID 142701757
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-[5-[5-[5-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214308
22,28,51,57-tetratert-butyl-3,6,9,12,15,18,32,35,38,41,44,47-dodecaoxaheptacyclo[28.28.1.120,49.02,55.019,24.026,31.048,53]hexaconta-1,19(24),20,22,26(31),27,29,48,50,52,55,57-dodecaene
CID 15424359
3,9,23,29-tetratert-butyl-13,16,19,33,36,39-hexaoxaheptacyclo[29.9.1.111,21.05,40.07,12.020,25.027,32]dotetraconta-1,3,5(40),7(12),8,10,20(25),21,23,27(32),28,30-dodecaene
CID 10259693
5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
5-(4-tert-butylphenyl)-7-[4-[4-[5-[4-(2-methylbutan-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 163779586
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
3,9,15,21-tetratert-butyl-25,28,31,34-tetraoxa-6,12,18,36-tetrathiahexacyclo[21.12.1.17,11.113,17.05,35.019,24]octatriaconta-1,3,5(35),7,9,11(38),13(37),14,16,19(24),20,22-dodecaene-37,38-diol
CID 10898154
2,2,4,4-tetramethyl-3-(2,3,4,5-tetrahydrothieno[3,4-b][1,4]dioxocin-7-yl)pentan-3-ol
CID 11001471

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The IUPAC name of 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine (CID 135160215) is 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine.
What is the SMILES notation for 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The canonical SMILES for 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine is CN(C)c1sc(C(C)(C)C)c2c1OCCO2.
What is the InChIKey of 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The InChIKey is DYXGOAZWNPZUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,3)10-8-9(15-7-6-14-8)11(16-10)13(4)5/h6-7H2,1-5H3.
What are the key properties of 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine is sourced from PubChem (CID 135160215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).