[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine

C11H18N4O2S — CID 55158157

IUPAC[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCn3ccnc3C2)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N4O2S/c12-8-11(1-6-18(16,17)9-11)15-5-4-14-3-2-13-10(14)7-15/h2-3H,1,4-9,12H2
InChIKeyIPVJPGWIRZUGTM-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.79
Rot. Bonds2

About [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine

[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 55158157) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID55158157
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCn3ccnc3C2)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N4O2S/c12-8-11(1-6-18(16,17)9-11)15-5-4-14-3-2-13-10(14)7-15/h2-3H,1,4-9,12H2
InChIKeyIPVJPGWIRZUGTM-UHFFFAOYSA-N
XLogP-0.79
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-(1H-imidazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70708422
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70771745
(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70780793
(4aS*,7aR*)-1-(1H-imidazol-2-ylmethyl)-4-(3-methyl-2-buten-1-yl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70783585
2-Methyl-1-[(1-methylimidazol-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 53594681
(4aR*,7aS*)-1-methyl-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70728375
(4aS*,7aR*)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744632
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 86774804
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914958
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 61856782
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N',2,2-trimethyl-1,1-dioxo-1,4-thiazinane-4-carboximidamide
CID 109702925

Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine (CID 55158157) is [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine is NCC1(N2CCn3ccnc3C2)CCS(=O)(=O)C1.
What is the InChIKey of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is IPVJPGWIRZUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c12-8-11(1-6-18(16,17)9-11)15-5-4-14-3-2-13-10(14)7-15/h2-3H,1,4-9,12H2.
What are the key properties of [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 55158157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).