7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H16N4O3S2 — CID 106266443

IUPAC7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(S(=O)(=O)N2CCN3C(=O)NCC3C2)s1
InChIInChI=1S/C11H16N4O3S2/c12-5-9-1-2-10(19-9)20(17,18)14-3-4-15-8(7-14)6-13-11(15)16/h1-2,8H,3-7,12H2,(H,13,16)
InChIKeySFXDLGFWEPBNDR-UHFFFAOYSA-N
MW316.41 g/mol
LogP-0.40
Rot. Bonds3

About 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 106266443) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID106266443
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1ccc(S(=O)(=O)N2CCN3C(=O)NCC3C2)s1
InChIInChI=1S/C11H16N4O3S2/c12-5-9-1-2-10(19-9)20(17,18)14-3-4-15-8(7-14)6-13-11(15)16/h1-2,8H,3-7,12H2,(H,13,16)
InChIKeySFXDLGFWEPBNDR-UHFFFAOYSA-N
XLogP-0.40
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

7-(5-bromothiophen-2-yl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095575
[4-[5-(aminomethyl)thiophen-2-yl]sulfonylmorpholin-2-yl]methanol
CID 81204690
7-(4-amino-2-methylphenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095885
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
7-(4-amino-3-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82846171
7-(chloromethylsulfonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095255
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
[5-(1,4-thiazepan-4-ylsulfonyl)thiophen-2-yl]methanamine
CID 61423571
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 55160071
5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyridine-2-carbonitrile
CID 115682004
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677

Frequently Asked Questions

What is the IUPAC name of 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 106266443) is 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1ccc(S(=O)(=O)N2CCN3C(=O)NCC3C2)s1.
What is the InChIKey of 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is SFXDLGFWEPBNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c12-5-9-1-2-10(19-9)20(17,18)14-3-4-15-8(7-14)6-13-11(15)16/h1-2,8H,3-7,12H2,(H,13,16).
What are the key properties of 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 316.41 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(aminomethyl)thiophen-2-yl]sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 106266443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).