N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide

C12H18BrN5O2S — CID 106193384

IUPACN-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1nc(Br)cn2ccnc12)S(C)(=O)=O
InChIInChI=1S/C12H18BrN5O2S/c1-3-18(21(2,19)20)7-4-5-14-11-12-15-6-8-17(12)9-10(13)16-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyVQBZLCZJCWFUJE-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.58
Rot. Bonds7

About N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide

N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 106193384) has the molecular formula C12H18BrN5O2S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID106193384
Molecular FormulaC12H18BrN5O2S
Molecular Weight376.28 g/mol
Exact Mass375.04
IUPAC NameN-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1nc(Br)cn2ccnc12)S(C)(=O)=O
InChIInChI=1S/C12H18BrN5O2S/c1-3-18(21(2,19)20)7-4-5-14-11-12-15-6-8-17(12)9-10(13)16-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyVQBZLCZJCWFUJE-UHFFFAOYSA-N
XLogP1.58
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide (CID 106193384) is N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1nc(Br)cn2ccnc12)S(C)(=O)=O.
What is the InChIKey of N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is VQBZLCZJCWFUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O2S/c1-3-18(21(2,19)20)7-4-5-14-11-12-15-6-8-17(12)9-10(13)16-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 376.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 106193384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).