[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine

C14H18N4O2S — CID 63014488

IUPAC[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccc(CS(=O)(=O)N2CCn3ccnc3C2)cc1
InChIInChI=1S/C14H18N4O2S/c15-9-12-1-3-13(4-2-12)11-21(19,20)18-8-7-17-6-5-16-14(17)10-18/h1-6H,7-11,15H2
InChIKeyRQEMWVJLZDMKMP-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.69
Rot. Bonds4

About [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine

[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine (PubChem CID 63014488) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine
PubChem CID63014488
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine
SMILESNCc1ccc(CS(=O)(=O)N2CCn3ccnc3C2)cc1
InChIInChI=1S/C14H18N4O2S/c15-9-12-1-3-13(4-2-12)11-21(19,20)18-8-7-17-6-5-16-14(17)10-18/h1-6H,7-11,15H2
InChIKeyRQEMWVJLZDMKMP-UHFFFAOYSA-N
XLogP0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine (CID 63014488) is [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine is NCc1ccc(CS(=O)(=O)N2CCn3ccnc3C2)cc1.
What is the InChIKey of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine?
The InChIKey is RQEMWVJLZDMKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-9-12-1-3-13(4-2-12)11-21(19,20)18-8-7-17-6-5-16-14(17)10-18/h1-6H,7-11,15H2.
What are the key properties of [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine?
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine has a molecular weight of 306.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 63014488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).