2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol

C10H20N2O4S — CID 21498578

IUPAC2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol
SMILESO=S1(=O)CC2C(C1)N(CCO)CCN2CCO
InChIInChI=1S/C10H20N2O4S/c13-5-3-11-1-2-12(4-6-14)10-8-17(15,16)7-9(10)11/h9-10,13-14H,1-8H2
InChIKeyHHYAGYZFQLKTPK-UHFFFAOYSA-N
MW264.35 g/mol
LogP-2.25
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol

2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol (PubChem CID 21498578) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol
PubChem CID21498578
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol
SMILESO=S1(=O)CC2C(C1)N(CCO)CCN2CCO
InChIInChI=1S/C10H20N2O4S/c13-5-3-11-1-2-12(4-6-14)10-8-17(15,16)7-9(10)11/h9-10,13-14H,1-8H2
InChIKeyHHYAGYZFQLKTPK-UHFFFAOYSA-N
XLogP-2.25
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol with MolForge

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Related Compounds

(4aS*,7aR*)-1-(2-ethoxyethyl)-4-ethyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70706507
(3S,4S)-3-[4-(2-fluoroethyl)piperazin-1-yl]-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 126846803
2-[4-(2-Hydroxyethyl)-3-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol
CID 21498587
3-[4-(3-Hydroxybutan-2-yl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]butan-2-ol
CID 53804020
1-[4-(2-Hydroxypropyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-2-ol
CID 53818650
1-[4-(2-Hydroxy-2-methylpropyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-2-methylpropan-2-ol
CID 53843205
3-[4-(2,3-Dihydroxypropyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propane-1,2-diol
CID 53902670
1-[4-(2-Hydroxybutyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]butan-2-ol
CID 53916531
1-[4-(2-Hydroxypropyl)-3-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-2-ol
CID 53928896
1-[4-(2-Hydroxy-1-methoxypropyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-1-methoxypropan-2-ol
CID 54042763
4,4'-(Piperazine-1,4-diyl)bis(3-hydroxytetrahydrothiophene 1,1-dioxide)
CID 3750287
(3S,4S)-4-[4-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 7353686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol (CID 21498578) is 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol is O=S1(=O)CC2C(C1)N(CCO)CCN2CCO.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol?
The InChIKey is HHYAGYZFQLKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c13-5-3-11-1-2-12(4-6-14)10-8-17(15,16)7-9(10)11/h9-10,13-14H,1-8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol?
2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol has a molecular weight of 264.35 g/mol, XLogP of -2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]ethanol is sourced from PubChem (CID 21498578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).