4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine

C10H18N4O2S — CID 55150709

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C10H18N4O2S/c11-3-1-2-8-17(15,16)14-7-6-13-5-4-12-10(13)9-14/h4-5H,1-3,6-9,11H2
InChIKeyWLLDZWYKKKWSPY-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.23
Rot. Bonds5

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine (PubChem CID 55150709) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine
PubChem CID55150709
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C10H18N4O2S/c11-3-1-2-8-17(15,16)14-7-6-13-5-4-12-10(13)9-14/h4-5H,1-3,6-9,11H2
InChIKeyWLLDZWYKKKWSPY-UHFFFAOYSA-N
XLogP-0.23
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide
CID 75500248
N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
CID 84590516
1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-4-(methylsulfonyl)piperazine
CID 91841379
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
CID 125437589
N-[2-(1H-imidazol-1-yl)ethyl]-N-methylpropane-1-sulfonamide
CID 129611730
N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide
CID 164641693
4-(2,3-Dimethylimidazol-3-ium-1-yl)butane-1-sulfonohydrazide
CID 71619312
4-[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]sulfonylbutanenitrile
CID 71857301
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-(2-methylpropylsulfonyl)piperazine
CID 71972863

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine (CID 55150709) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine is NCCCCS(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine?
The InChIKey is WLLDZWYKKKWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c11-3-1-2-8-17(15,16)14-7-6-13-5-4-12-10(13)9-14/h4-5H,1-3,6-9,11H2.
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine has a molecular weight of 258.35 g/mol, XLogP of -0.23, 5 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-ylsulfonyl)butan-1-amine is sourced from PubChem (CID 55150709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).