N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide

C15H22N4O3S — CID 50750481

IUPACN-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
SMILESCOCCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C15H22N4O3S/c1-22-9-3-6-18-7-8-19-14-5-4-12(17-23(2,20)21)10-13(14)16-15(19)11-18/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyTWOBVLQZSFQPHT-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide

N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide (PubChem CID 50750481) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
PubChem CID50750481
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
SMILESCOCCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1
InChIInChI=1S/C15H22N4O3S/c1-22-9-3-6-18-7-8-19-14-5-4-12(17-23(2,20)21)10-13(14)16-15(19)11-18/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyTWOBVLQZSFQPHT-UHFFFAOYSA-N
XLogP1.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.26
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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Related Compounds

N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide;dihydrochloride
CID 146052300
2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 29139236
1-cyclohexyl-3-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]urea
CID 50750465
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]methanesulfonamide
CID 7555857
N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
CID 50750495
2-(2-methoxyethyl)-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 2968856
N-(2-butyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
CID 46269105
N-[2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 29126924
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-[2-(4-methoxyphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
CID 2038541
N,2-diethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 25251653
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The IUPAC name of N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide (CID 50750481) is N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide is COCCCN1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1.
What is the InChIKey of N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
The InChIKey is TWOBVLQZSFQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-22-9-3-6-18-7-8-19-14-5-4-12(17-23(2,20)21)10-13(14)16-15(19)11-18/h4-5,10,17H,3,6-9,11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide?
N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide is sourced from PubChem (CID 50750481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).