4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

C10H20N2O2S — CID 59520002

IUPAC4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESCC(C)(C)N1CCNC2CS(=O)(=O)CC21
InChIInChI=1S/C10H20N2O2S/c1-10(2,3)12-5-4-11-8-6-15(13,14)7-9(8)12/h8-9,11H,4-7H2,1-3H3
InChIKeySHESWZLKWROSLU-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds

About 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (PubChem CID 59520002) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.

Molecular Properties

Compound Name4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
PubChem CID59520002
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESCC(C)(C)N1CCNC2CS(=O)(=O)CC21
InChIInChI=1S/C10H20N2O2S/c1-10(2,3)12-5-4-11-8-6-15(13,14)7-9(8)12/h8-9,11H,4-7H2,1-3H3
InChIKeySHESWZLKWROSLU-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide with MolForge

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Related Compounds

1-(Tetrahydro-1,1-dioxido-3-thienyl)piperazine dihydrochloride
CID 16248271
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
Octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 16449569
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
3-((2-(Diisopropylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 4962282
cis-Octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 7454202
Thieno[3,4-b]pyrazine, octahydro-2-methyl-, 6,6-dioxide
CID 21498582
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylpropan-2-amine
CID 59472435
2,2-Dimethyl-1-(2-(methylsulfonyl)ethyl)piperazine
CID 59606088
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
CID 62633303
1-(1,1-Dioxidotetrahydrothien-3-yl)piperazinediium dichloride
CID 67550098

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The IUPAC name of 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (CID 59520002) is 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.
What is the SMILES notation for 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The canonical SMILES for 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is CC(C)(C)N1CCNC2CS(=O)(=O)CC21.
What is the InChIKey of 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The InChIKey is SHESWZLKWROSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2,3)12-5-4-11-8-6-15(13,14)7-9(8)12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide has a molecular weight of 232.35 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is sourced from PubChem (CID 59520002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).